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List of which calculations are completed at LSDA /TZVP

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 He Helium atom 1SKh
7 HeH+ Helium hydride cation 1ΣC∞v
8 He2+ helium diatomic cation 2ΣuD∞h
9 Li Lithium atom 2SKh
10 Li- Lithium atom anion 1SKh
11 Li+ Lithium atom cation 1SKh
12 Na Sodium atom 2SKh
13 Na+ Sodium atom cation 1SKh
14 LiH Lithium Hydride 1ΣC∞v
15 LiH+ lithium hydride cation 2ΣC∞v
16 NaH sodium hydride 1ΣC∞v
17 NaH+ sodium hydride cation 2ΣC∞v
18 KH Potassium hydride 1ΣC∞v
19 KH+ Potassium hydrogen cation 2ΣC∞v
20 Be Beryllium atom 1SKh
21 Be+ Beryllium atom cation 2SKh
22 Mg Magnesium atom 1SKh
23 Mg+ Magnesium atom cation 2SKh
24 BeH beryllium monohydride 2ΣC∞v
25 CaH Calcium monohydride 2ΣC∞v
26 CaH+ Calcium monohydride cation 2ΣC∞v
27 TiH Titanium monohydride 4ΦC∞v
28 BeH2 beryllium dihydride 1ΣgD∞h
29 BeH2+ Beryllium dihydride cation 2ΣC∞v
30 BeH2+ Beryllium dihydride cation 2ΣuD∞h
31 MgH2 magnesium dihydride 1ΣgD∞h
32 B Boron atom 2PKh
33 B Boron atom 4PKh
34 B+ Boron atom cation 1SKh
35 Al Aluminum atom 2PKh
36 Al+ Aluminum atom cation 1SKh
37 Sc Scandium atom 2DKh
38 Sc+ Scandium cation 3DKh
39 Ga Gallium atom 2P 
40 Ga- Gallium atom anion 3POh
41 Ga+ Gallium atom cation 1S 
42 BH Boron monohydride 1ΣC∞v
43 BH Boron monohydride 3ΠC∞v
44 BH- boron monohydride anion 4ΣC∞v
45 ScH Scandium monohydride 1ΣC∞v
46 ScH+ Scandium monohydride cation 2ΣC∞v
47 GaH Gallium monohydride 1ΣC∞v
48 GaH+ Gallium monohydride cation 2ΣC∞v
49 BH2- boron dihydride anion 3B1C2v
50 BH2- boron dihydride anion 1A1C2v
51 BH2+ Boron dihydride cation 1ΣgD∞h
52 BH3 boron trihydride 1A1'D3h
53 BH3+ boron trihydride cation 2B2C2v
54 AlH3 aluminum trihydride 1A1'D3h
55 ScH3 Scandium trihydride 1A1'D3h
56 ScH3 Scandium trihydride 1A1C3v
57 GaH3 Gallium trihydride 1A1'D3h
58 BH4 borohydride 2B2C2v
59 BH4- borohydride anion 1A1Td
60 C Carbon atom 3P0Kh
61 C Carbon atom 3P1Kh
62 C- Carbon atom anion 2DKh
63 C+ Carbon atom cation 2PKh
64 Si Silicon atom 3PKh
65 Si Silicon atom 1SKh
66 Si+ Silicon atom cation 2PKh
67 Ge- Germanium anion 4SKh
68 Ge+ Germanium cation 2PKh
69 SiH Silylidyne 2ΠC∞v
70 SiH- silicon monohydride anion 3ΣC∞v
71 SiH+ silicon monohydride cation 1ΣC∞v
72 GeH germylidene 2ΠC∞v
73 GeH+ Germaniun monohyrdide cation 1ΣC∞v
74 CH2 Methylene 3B1C2v
75 CH2 Methylene 3ΣGD∞h
76 CH2 Methylene 1A1C2v
77 CH2+ methylene cation 2A1C2v
78 CH2+ methylene cation 2ΠD∞h
79 SiH2 silicon dihydride 1A1C2v
80 SiH2 silicon dihydride 3B1C2v
81 GeH2 germylene 1A1C2v
82 GeH2- germylene anion 2B1C2v
83 CH3 Methyl radical 2A1D3h
84 CH3- methyl anion 1A1C3v
85 CH3+ methyl cation 1A1'D3h
86 SiH3 Silyl radical 2A1C3v
87 SiH3+ Silyl cation 1A1'D3h
88 GeH3 Germyl radical 2A1C3v
89 GeH3+ germyl cation 1A1'D3h
90 CD4 methane-d4 1A1Td
91 CH2D2 methane-d2 1A1C2v
92 CH3D methane-d 1A1C3v
93 CH4 Methane 1A1Td
94 CHD3 methane-d3 1A1C3v
95 SiH4 Silane 1A1Td
96 GeH4 Germane 1A1Td
97 N Nitrogen atom 4SKh
98 N Nitrogen atom 2DKh
99 N+ Nitrogen atom cation 3PKh
100 P Phosphorus atom 4SKh
101 V Vanadium atom 4FKh
102 V+ Vanadium atom cation 5DKh
103 As- Arsenic anion 3PKh
104 As+ Arsenic cation 3PKh
105 AsH Arsenic monohydride 1ΣC∞v
106 AsH+ Arsenic monohydride cation 2ΠC∞v
107 NH2+ Amino cation 3B1C2v
108 NH2+ Amino cation 1A1C2v
109 AsH2+ Arsenic dihydride cation 1A1C2v
110 NH3 Ammonia 1A1C3v
111 NH3- Ammonia anion 2A1C3v
112 NH3+ ammonia cation 2A2"D3h
113 PH3 Phosphine 1A1C3v
114 AsH3 Arsine 1A1C3v
115 NH4+ ammonium cation 1A1Td
116 PH4+ phosphonium cation   
117 O Oxygen atom 3SKh
118 O+ Oxygen atom cation 4SKh
119 S Sulfur atom 3PKh
120 S- Sulfur atom anion 2PKh
121 S+ Sulfur atom cation 4SKh
122 OH Hydroxyl radical 2ΠC∞v
123 OH- hydroxide anion 1ΣC∞v
124 HS Mercapto radical 2ΠC∞v
125 HS- mercapto anion 1ΣC∞v
126 HS+ sulfur monohydride cation 3ΣC∞v
127 CrH Chromium hydride 6ΣC∞v
128 CrH+ Chromium hydride cation 5ΣC∞v
129 HSe Selenium monohydride 2ΠC∞v
130 HSe+ selenium monohydride cation 3ΣC∞v
131 H2O Water 1A1C2v
132 HDO Water-d1 1A1C2v
133 H2S Hydrogen sulfide 1A1C2v
134 H2S- Hydrogen sulfide anion 2A'Cs
135 H2S+ Hydrogen sulfide cation 2B1C2v
136 H2Se Hydrogen selenide 1A1C2v
137 H3O+ hydronium cation 1A1C3v
138 H3S+ Sulfonium cation 1A1C3v
139 H3Se+ Hydrogen Selenide, protonated 1A1C3v
140 F Fluorine atom 2PKh
141 F- Fluorine atom anion 1SKh
142 F+ Fluorine atom cation 3SKh
143 F+ Fluorine atom cation 1DKh
144 Cl Chlorine atom 2PKh
145 Cl- Chlorine atom anion 1SKh
146 Cl+ Chlorine atom cation 3PKh
147 Cl+ Chlorine atom cation 1DKh
148 HF Hydrogen fluoride 1ΣC∞v
149 HCl Hydrogen chloride 1ΣC∞v
150 HCl+ hydrogen chloride cation 2ΠC∞v
151 H2Cl+ dihydrogen monochloride cation 1A1C2v
152 H2Br+ protonated hydrogen bromide 2A1C2v
153 Ne Neon atom 1SKh
154 Ne+ Neon atom cation 2PKh
155 Ar Argon atom 1SKh
156 Kr Krypton atom 1SKh
157 Kr+ Krypton cation 2PKh
158 NeH neon hydrogen 2ΣC∞v
159 KrH+ Protonated Krypton 1ΣC∞v
160 H2Ar H2 Ar dimer 1ΣC∞v
161 Li2 Lithium diatomic 1ΣgD∞v
162 LiK Lithium Potassium 1ΣC∞v
163 Na2 Sodium diatomic 1ΣgD∞h
164 Na2+ sodium diatomic cation 2ΣgD∞h
165 NaK Sodium Potassium 1ΣC∞v
166 NaK+ Sodium Potassium diatomic cation 1
167 K2 Potassium diatomic 1ΣgD∞h
168 LiBe Lithium Beryllium 2ΣC∞v
169 LiMg Lithium magnesium 2ΣC∞v
170 NaBe Sodium Beryllium 2ΣC∞v
171 NaMg Sodium Magnesium 2ΣC∞v
172 Be2 Beryllium diatomic 1ΣgD∞h
173 Be2 Beryllium diatomic 3ΠgD∞h
174 BeMg Beryllium Magnesium 1ΣC∞v
175 Mg2 Magnesium diatomic 1ΣgD∞h
176 Ca2 Calcium diatomic 1ΣGD∞h
177 LiB Lithium boride 3ΠC∞v
178 NaAl Sodium aluminum 1ΣC∞v
179 BeB Beryllium monoboride 2ΠC∞v
180 B2 Boron diatomic 3ΣgD∞h
181 B2 Boron diatomic 1ΣgD∞h
182 B2 Boron diatomic 5ΣuD∞h
183 B2+ Boron diatomic cation 2ΠD∞h
184 BAl Boron Aluminum 3ΣC∞v
185 BGa Boron Gallium 3ΣC∞v
186 AlGa Aluminum Gallium 3ΣC∞v
187 AlGa Aluminum Gallium 1ΣC∞v
188 Ga2 Gallium diatomic 3Piu 
189 LiBH4 Lithium borohydride 1A1C3v
190 B2H4 Diborane(4) D2d 1A1D2d
191 HBHHBH Diborane(4) C2V 1A1C2v
192 B2H6 Diborane 1AgD2h
193 Al2H6 dialane 1AGD2h
194 Ga2H6 digallane 1AGD2h
195 LiC Lithium Carbide 4ΣC∞v
196 BeC Beryllium Carbide 3Σ-C∞v
197 BeC Beryllium Carbide   
198 BC boron monocarbide 4Σ-C∞v
199 AlC Aluminum carbide 4ΣC∞v
200 BSi Boron silicide 4ΣC∞v
201 BSi Boron silicide 2ΣC∞v
202 C2 Carbon diatomic 1Σg+D∞h
203 C2 Carbon diatomic 3Σg- 
204 C2+ carbon diatomic cation 4ΣgD∞h
205 SiC silicon monocarbide 3ΣC∞v
206 SiC silicon monocarbide 1ΣC∞v
207 GeC Germanium monocarbide 1ΣC∞v
208 GeC Germanium monocarbide   
209 Ge2 Germanium diatomic 3ΣgD∞h
210 C2H Ethynyl radical 2ΣC∞v
211 C2H- Ethynyl anion 1ΣC∞v
212 C2H2 Acetylene 1ΣgD∞h
213 CCH2 vinylidene 3B2C2v
214 CH2BH methyleneborane 1A1C2v
215 C2H3 vinyl 2A'Cs
216 C2H3- vinyl anion 1A'Cs
217 C2H4- Ethylene anion 2AgC2h
218 CH3BH2 methylborane 1A'Cs
219 C2H5 Ethyl radical 2A'Cs
220 C2H5- Ethyl anion 1A'Cs
221 C2H6 Ethane 1A1gD3d
222 C2H7+ Ethane, protonated 1AC2
223 BeN Beryllium mononitride 4ΣC∞v
224 BeN Beryllium mononitride 2ΠC∞v
225 BeN+ Beryllium mononitride cation 3ΣC∞v
226 BeN+ Beryllium mononitride cation 1ΣC∞v
227 BP Boron monophosphide 3ΠC∞v
228 BP Boron monophosphide 1ΣC∞v
229 AlP Aluminum monophosphide 3ΣC∞v
230 AlP Aluminum monophosphide 3ΠC∞v
231 AlP Aluminum monophosphide 1ΣC∞v
232 GaN Gallium mononitride 3ΠC∞v
233 GaN Gallium mononitride 1ΣC∞v
234 GaP Gallium monophosphide 3ΣC∞v
235 GaP Gallium monophosphide 1ΣC∞v
236 GaAs Gallium arsenide 3Π 
237 GaAs Gallium arsenide 1Σ 
238 BN boron nitride 3ΠC∞v
239 BN boron nitride 1ΣC∞v
240 CN Cyano radical 2ΣC∞v
241 CN- cyanide anion 1ΣC∞v
242 SiP Silicon monophosphide 2ΠC∞v
243 N2 Nitrogen diatomic 1ΣgD∞h
244 N2- nitrogen diatomic anion 2ΠgD∞h
245 N2+ diatomic nitrogen cation 2ΣgD∞h
246 P2 Phosphorus diatomic 1ΣgD∞h
247 AsN Arsenic mononitride 1ΣC∞v
248 AsP Arsenic monophosphide 1ΣC∞v
249 HCN Hydrogen cyanide 1ΣC∞v
250 HCN+ hydrogen cyanide cation 2ΠC∞v
251 HBNH Boranimine 1ΣC∞v
252 CNH2 Aminomethylidyne radical 2B2C2v
253 H2CN Dihydrogen cyanide radical 2B2C2v
254 HCNH methyleneazane 2A'CS cis
255 HCNH methyleneazane 2A'CS trans
256 N2H2 (E)-diazene 1AgC2h
257 N2H2 (Z)-Diazene 1A1C2v
258 N2H2+ trans-diazene cation 2AGC2h
259 CH2PH Phosphaethene 1A'Cs
260 CH2NH2+ methyleneamine cation 1A1C2v
261 N2H4 Hydrazine 1AC2
262 CH3NH2 methyl amine 1A'Cs
263 N2H5+ protonated hydrazine 1A'Cs
264 BH3NH3 borane ammonia 1A1C3v
265 CH3NH3 methyl ammonium radical 2A1C3v
266 CH3PH3+ methyl phosphine, protonated 1A1C3v
267 LiO lithium oxide 2ΣC∞v
268 LiS Lithium monosulfide 2ΠC∞v
269 LiS+ Lithium sulfide cation 3ΣC∞v
270 NaO sodium monoxide 2ΣC∞v
271 KO Potassium monoxide 2ΣC∞v
272 KO+ Potassium monoxide cation 3ΣC∞v
273 NaS Sodium sulfide 2ΠC∞v
274 BeO beryllium oxide 1ΣC∞v
275 BeO+ Beryllium monoxide cation 2ΠC∞v
276 CaS Calcium sulfide 1ΣC∞v
277 BO boron monoxide 2ΣC∞v
278 ScO Scandium monoxide 2ΣC∞v
279 GaO Gallium monoxide 2ΣC∞v
280 CO Carbon monoxide 1ΣC∞v
281 CO Carbon monoxide 3ΠC∞v
282 CO- carbon monoxide anion 2ΠC∞v
283 CO+ carbon monoxide cation 2ΣC∞v
284 TiO Titanium monoxide 3ΔC∞v
285 GeO Germanium monoxide 1ΣC∞v
286 GeO+ Germanium monoxide cation 2ΣC∞v
287 GeS Germanium monosulfide 1ΣC∞v
288 NO Nitric oxide 2ΠC∞v
289 NO+ nitric oxide cation 1ΣC∞v
290 NS Mononitrogen monosulfide 2ΠC∞v
291 NS- nitrogen sulfide anion 3ΣC∞v
292 PO Phosphorus monoxide 2ΠC∞v
293 PS phosphorus sulfide 2ΣC∞v
294 VO Vanadium monoxide 4Σ- 
295 NSe Nitrogen monoselenide 2ΠC∞v
296 AsS Arsenic monosulfide 2ΠC∞v
297 PSe Phosphorus monoselenide 2ΠC∞v
298 AsSe Arsenic monoselenide 2ΠC∞v
299 O2 Oxygen diatomic 3ΣgD∞h
300 O2 Oxygen diatomic 1ΔgD∞h
301 O2- oxygen diatomic anion 2ΠD∞h
302 O2+ diatomic oxygen cation 2ΠgD∞h
303 SO Sulfur monoxide 3ΣC∞v
304 LiOH lithium hydroxide 1ΣC∞v
305 KOH Potassium hydroxide 1ΣC∞v
306 BeOH beryllium monohydroxide 2ΣC∞v
307 HBO Boron hydride oxide 1ΣC∞v
308 COH+ Carbon Monoxide, protonated 1ΣC∞v
309 HCO- formyl anion 1A'Cs
310 NOH Hydroxyimidogen 3A"Cs
311 NOH+ O-protonated nitric oxide 2A'Cs
312 HO2 Hydroperoxy radical 2A"Cs
313 HO2+ Hydroperoxy cation 3A"Cs
314 HS2 Thiosulfeno radical 2A"Cs
315 H2CO Formaldehyde 1A1C2v
316 H2CO- formaldehyde anion 2A'Cs
317 H2CO- formaldehyde anion   
318 HOCH hydroxycarbene 1A'CS trans
319 HOCH hydroxycarbene 1A'CS cis
320 H2CS Thioformaldehyde 1A1C2v
321 H2CS- thioformaldehyde anion   
322 H2CS- thioformaldehyde anion   
323 H2CS+ thioformaldehyde cation 2B2C2v
324 H2NO nitroxide 2B1C2v
325 H2NO nitroxide 2A'Cs
326 H2O2 Hydrogen peroxide 1AC2
327 H2O2 Hydrogen peroxide 1AgC2h
328 H2O2+ Hydrogen peroxide cation 2A1C2v
329 H2S2 Disulfane 1AC2
330 H2S2+ hydrogen disulfide cation 2BgC2h
331 CH2OH Hydroxymethyl radical 2AC1
332 CH2OH+ hydroxymethyl cation 1A'Cs
333 CH3O- methoxy anion 1A1C3v
334 CH3O+ Methoxy cation 3A1C3v
335 H2CSH+ Thioformaldehyde, protonated 1A'Cs
336 NH2OH hydroxylamine 1A'Cs
337 NH3O Ammonia Oxide 1A1C3v
338 H2POH Phosphinous acid 1A1'CS trans
339 H2POH Phosphinous acid 1A1'CS cis
340 H3PO Phosphine oxide 1A1C3v
341 CH3OH- Methyl alcohol anion 2A'Cs
342 CH3OH- Methyl alcohol anion 2A'CS eclipsed
343 CH3OH+ Methyl alcohol cation 2A"Cs
344 CH3SH Methanethiol 1A'Cs
345 H2OH2O water dimer 1A'Cs
346 CH3OH2+ Methanol, protonated 1A'Cs
347 CH3SH2+ protonated methylsulfide 1A'Cs
348 H5O2+ Dihydroxonium ion 1AC2
349 LiF lithium fluoride 1ΣC∞v
350 LiCl lithium chloride 1ΣC∞v
351 NaF sodium fluoride 1ΣC∞v
352 NaCl Sodium Chloride 1ΣC∞v
353 BeF- Beryllium monofluoride anion 1ΣC∞v
354 MgF+ magnesium fluoride cation 1ΣC∞v
355 TiCl Titanium Monochloride 4ΣC∞v
356 ZnF Zinc monofluoride 2ΣC∞v
357 BF Boron monofluoride 1ΣC∞v
358 AlCl Aluminum monochloride 1ΣC∞v
359 ScF Scandium monofluoride 1ΣC∞v
360 BBr Boron monobromide 1ΣC∞v
361 GaF Gallium monofluoride 1ΣC∞v
362 GaF+ Gallium monofluoride cation 2ΣC∞v
363 GaCl Gallium monochloride 1ΣGC∞v
364 GaCl+ Gallium monochloride cation 2ΣC∞v
365 SiF silicon monofluoride 2ΠC∞v
366 SiF- silicon monofluoride anion 3ΣC∞v
367 SiF+ silicon monofluoride cation 1ΣC∞v
368 CBr Carbon monobromide 2ΠC∞v
369 GeF+ Germanium monofluoride cation 1ΣC∞v
370 GeCl Germanium monochloride 2ΠC∞v
371 SiBr Silicon monobromide 2ΠC∞v
372 AsF Arsenic monofluoride 3ΣC∞v
373 AsF Arsenic monofluoride 1ΔC∞v
374 NBr nitrogen monobromide 3Σ-C∞v
375 AsCl Arsenic monochloride 3ΣC∞v
376 FO Oxygen monofluoride 2ΠC∞v
377 SF Monosulfur monofluoride 2ΠC∞v
378 SCl sulfur monochloride 2ΠC∞v
379 BrO Bromine monoxide 2ΠC∞v
380 BrO- Bromine monoxide anion 1ΣC∞v
381 SeF Selenium monofluoride 2ΠC∞v
382 SeCl Selenium monochloride 2ΠC∞v
383 F2 Fluorine diatomic 1ΣgD∞h
384 F2- flourine diatomic anion 2ΣuD∞h
385 Cl2 Chlorine diatomic 1ΣgD∞h
386 Cl2- chlorine diatomic anion 2ΣuD∞h
387 HCCl Chloromethylene 1A'Cs
388 HCCl Chloromethylene 3A"Cs
389 CHBr bromomethylene 1A'Cs
390 CHBr bromomethylene 3A"Cs
391 HOBr Hypobromous acid 1A'Cs
392 HOBr+ Hypobromous acid cation 2A"Cs
393 F2H+ Fluorine, protonated 1A'Cs
394 FHF- Hydrogen difluoride anion 1ΣgD∞h
395 Cl2H+ Chlorine, protonated 1A'Cs
396 CH2Br bromomethyl radical 2A'Cs
397 CH2F fluoromethyl radical 2ACs
398 CD3F methylfluoride-d3 1A1C3v
399 CH3F Methyl fluoride 1A1C3v
400 CD3Cl methyl chloride d3 1A1C3v
401 SiH3Br bromosilane 1A1C3v
402 Ne2+ Neon diatomic cation 2ΣuD∞h
403 Ar2 Argon diatomic 1SgD∞h
404 Ar2+ Argon diatomic cation 2ΣuD∞h
405 Li3 Lithium trimer 2B2C2v
406 Li3+ Lithium trimer cation 1A1'D3h
407 C3 carbon trimer 1ΣgD∞h
408 C3 carbon trimer 1A1C2v
409 C3H3 cyclopropenyl radical 2A'Cs
410 C3H5 Allyl radical 2A2C2v
411 C3H5 Allyl radical 2A"Cs
412 C3H5+ Allyl cation 1A1C2v
413 CH3CHCH 1-propenyl radical 2A'Cs
414 C3H6 Cyclopropane 1A1'D3h
415 CH2CHCH3 Propene 1A'Cs
416 C3H7 n-Propyl radical 2A"C1
417 C3H7+ cyclopropane, protonated   
418 CH3CHCH3 Isopropyl radical 2AC2
419 CH3CHCH3+ Isopropyl cation 1AC2
420 C3H8 Propane 1A1C2v
421 LiCN lithium cyanide 1ΣC*V LiCN
422 LiCN lithium cyanide 1A'Cs
423 LiCN lithium cyanide 1ΣC*V LiNC
424 KCN Potassium cyanide 1A'Cs
425 ZnCN Zinc monocyanide 2ΣC∞v
426 ZnNC Zinc isocyanide 2ΣC∞v
427 CN2 3H-Diazirin-3-ylidene 1A1C2v
428 NCN Cyanoimidogen 3ΣgD∞h
429 NCN Cyanoimidogen 1ΣgD∞h
430 N3 azide radical 2ΠgD∞h
431 N3+ azide cation 3ΣgD∞h
432 N3+ azide cation 3ΣC∞v
433 HCCN cyanomethylene 3A"Cs
434 HCCN cyanomethylene 3ΣC∞v
435 HCCN cyanomethylene   
436 NH2CN cyanamide 1A1C2v
437 H2CCNH Ethenimine   
438 H2CNCH methyleneaminomethylene   
439 HCCNH2 Ethynamine   
440 HNCNH2+ diiminomethane, protonated 1A'Cs
441 NCNH3+ Cyanamide, protonated 1A1C3v
442 CH2CHNH vinylazine 2A"CS cis
443 CH2CHNH vinylazine 2A"CS trans
444 CH3CHN methylmethaniminyl radical 2A'Cs
445 CH3CHNH ethanimine 1A'CS NH down
446 C2H5NH+ Protonated Aziridine 1A1C2v
447 C2H6N+ aziridine, protonated 1A1C2v
448 NH2CH2NH2 diaminomethane 1A1C2v
449 CH3CH2NH2 Ethylamine   
450 CH3PHCH3 dimethylphosphine 1A'Cs
451 (CH3)2NH2+ dimethylammonium cation 1A1C2v
452 CH3CH2NH3+ ethylamine, protonated 1A'Cs
453 Li2O dilithium oxide 1ΣgD∞h
454 Li2O+ dilithium oxide cation 2ΠD∞h
455 Li2S dilithium sulfide 1ΣGD∞h
456 Li2S dilithium sulfide 1A1C2v
457 Na2O disodium monoxide 1ΣgLinear
458 Na2O disodium monoxide 1A1C2v
459 CCO Dicarbon monoxide 3ΣC∞v
460 CCO Dicarbon monoxide 1ΠC∞v
461 NCO isocyanato radical 2ΠC∞v
462 N2O Nitrous oxide 1ΣC∞v
463 N2O- Nitrous oxide anion 2A'Cs
464 NNS Nitrogen sulfide 1ΣC∞v
465 PPO Phosphorus oxide phosphide 1ΣC∞v
466 CO2 Carbon dioxide 1ΣgD∞h
467 TiO2 Titanium dioxide 1A1C2v
468 SiS2 Silicon disulfide 1ΣGD∞h
469 GeS2 Germanium disulfide 1ΣGD∞h
470 CSe2 Carbon diselenide 1A1D∞h
471 NO2 Nitrogen dioxide 2A1C2v
472 NO2+ Nitrogen dioxide cation 1ΣGD∞h
473 AsO2 Aresenic dioxide 2A1C2v
474 O3 Ozone 1A1Cs
475 SO2 Sulfur dioxide 1A1C2v
476 S3- Sulfur trimer anion 2B1C2v
477 S3+ Sulfur trimer cation 2B2C2v
478 SeO2+ Selenium dioxide cation 2A1C2v
479 HCNO fulminic acid 1ΣC∞v
480 HCNO fulminic acid 1A'Cs
481 HNNO+ Nitrous oxide, N-protonated 1A'Cs
482 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
483 HCOO formate neutral radical 2A'Cs
484 O3H+ protonated ozone 1A'Cs
485 SO2H+ protonated sulfur dioxide 1A'Cs
486 Be(OH)2 Beryllium hydroxide   
487 Be(OH)2 Beryllium hydroxide   
488 Mg(OH)2 Magnesium dihydroxide 1AC2
489 Mg(OH)2 Magnesium dihydroxide 1ΣgD∞h
490 NH2NO Nitrosamide 1AC1
491 H2COO Dioxymethyl radical 2A'Cs
492 H2COO+ dioxymethyl cation 2A'Cs
493 HCOOH Formic acid 1A'Cs
494 HCOOH Formic acid   
495 H2O3 Hydrogen trioxide 1AC2
496 HSSSH trisulfane 1AC2
497 HSSSH trisulfane 1A'Cs
498 CH2BOH hydroxy(methylene)borane 1A'Cs
499 BH3CO Borane carbonyl 1A1C3v
500 CH3BO Borane, methyloxo- 1A1C3v
501 CH2COH+ ketene, protonated   
502 CH3NO nitrosomethane 1A'Cs
503 CNOH3 1,2-oxaziridine 1AC1
504 HOCHNH hydroxymethylimine 1A'CS H all up
505 HOCHNH hydroxymethylimine 1A'CS OH down
506 HOCHNH hydroxymethylimine 1A'CS CH up
507 H2CONH2+ protonated formamide 1A'Cs
508 CH2(OH)2 methanediol 1AC2
509 C2H4OH+ ethylene oxide, protonated 1A'Cs
510 CH2CH2OH 2-hydroxy ethyl radical 2A'Cs
511 CH2CH2OH 2-hydroxy ethyl radical 2AC1
512 CH3CHOH 1-hydroxy-ethyl radical 2AC1
513 CH3CHOH+ acetaldehyde, protonated 1A'Cs
514 CH3CH2SH ethanethiol 1AC1
515 CH3SeCH3 dimethylselenide 1A1C2v
516 CuF2 Copper difluoride 2ΠgD∞h
517 CNF iso cyanogen fluoride 1ΣC∞v
518 BeF2 Beryllium fluoride 1ΣgD∞h
519 MgF2 Magnesium fluoride 1ΣgD∞h
520 BeCl2 Beryllium chloride 1ΣgD∞h
521 CaCl2 Calcium Chloride 1ΣgD∞h
522 FCO Carbonyl fluoride 2A'Cs
523 FCO+ Carbonyl fluoride cation 1ΣC∞v
524 ClCO carbonyl monochloride 2A'Cs
525 BF2 Boron difluoride radical 2A1C2v
526 FNS Thionitrosyl fluoride 1A'Cs
527 FSN Thiazyl fluoride 1A'Cs
528 CFCl chlorofluoromethylene 1A'Cs
529 SiF2 Silicon difluoride 3B1C2v
530 SiF2+ Silicon difluoride cation 2A1C2v
531 GeF2 Germanium difluoride 1A1C2v
532 CBr2 dibromomethylene 1A1C2v
533 CBr2 dibromomethylene 3B1C2v
534 OClO- Chlorine dioxide anion 1A'Cs
535 ClSO Sulfur chloride oxide 2A"Cs
536 FClO chlorosyl fluoride 1A'Cs
537 ClOF Chlorine hypofluorite 1A'Cs
538 SF2- sulfur difluoride anion 2A'Cs
539 SF2- sulfur difluoride anion 2ΠD∞h
540 SCl2 Sulfur dichloride 1A1C2v
541 F3- trifluoride anion 1ΣgD∞h
542 Cl3- trichloride anion 1ΣgD∞h
543 HCCCl Chloroacetylene 1ΣC∞v
544 HCCBr bromoacetylene 1ΣC∞v
545 HFCO+ formyl fluoride cation 2A'Cs
546 CHCl2 dichloromethyl radical 2B1C2v
547 CHCl2 dichloromethyl radical 2A'Cs
548 CHF2 difluoromethyl radical 2ACs
549 CH2BrCl Methane, bromochloro- 1A'Cs
550 SiH2Cl2 dichlorosilane 1A1C2v
551 CH2CH2Cl 2-chloroethyl radical 2A'Cs
552 CHClCH3 1-chloroethyl radical 2AC1
553 KrF2 Krypton difluoride 1ΣGD∞h
554 B4H10 Tetraborane(10) 1A1C2v
555 C4H2 Diacetylene 1ΣgD∞h
556 C4H4 cyclobutadiene 1AgD2h
557 CHCCH2CH3 1-Butyne 1A'Cs
558 CH3CHCHCH2 methylallyl radical 2A"Cs
559 C4H8 methylcyclopropane 1A'Cs
560 CH2CHCH2CH3 1-Butene 1AC1
561 CH3CH2CH2CH3 Butane 1AgAnti
562 CH3CH2CH2CH3 Butane 1AGauche
563 Li3N trilithium nitride 1A'D3h
564 Li3N trilithium nitride 1A1C3v
565 C2N2 Cyanogen 1ΣgD∞h
566 As4 Arsenic tetramer 1A1Td
567 HCCCN+ Cyanoacetylene cation 2ΠC∞v
568 CH3N3 methyl azide 1A'Cs
569 NH2CCNH2 Diaminoacetylene 1AC2
570 NH2CH2CN Aminoacetonitrile 1A'Cs
571 CH3NHN2+ methyl azide, protonated 1AC1
572 C4H6 Bicyclo[1.1.0]butane 1A1C2v
573 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
574 CH6N3+ guanidinium 1A1'D3h
575 CH6N3+ guanidinium 1A1D3
576 CH7N3 triaminomethane   
577 C4H8 cyclobutane 1A1D2d
578 NH2CH2CH2CH3 1-Propanamine 1A'Cs
579 P(CH3)3 trimethylphosphine 1A1C3v
580 (CH3)3NH+ protonated trimethyl amine   
581 C3H7NH3+ n-propylamine, protonated 1A'Cs
582 C3O Tricarbon monoxide 1ΣC∞v
583 ONNO NO dimer 1Agtrans C2H
584 S2N2 Disulfur dinitride 1AGD2h
585 NO3- nitrate anion 1A1'D3h
586 NO3+ nitrogen trioxide cation 1A1C2v
587 SeO3 selenium trioxide 1A1'D3h
588 NH2NO2 nitramide 1A'Cs
589 H2NO3+ Nitric Acid, Protonated 1A1C2v
590 H2SO3 Sulfurous acid 1A'Cs
591 NH2COOH Carbamic acid 1A'Cs
592 NH2COOH Carbamic acid 1AC1
593 H3CO3+ carbonic acid, protonated 1A'C3h
594 NH2COOH2+ Carbamic acid, O-protonated 1AC1
595 NH3COOH+ protonated Carbamic acid 1A'Cs
596 CH3COCH2 Acetonyl radical 2A"Cs
597 CH5N2O+ urea, N-protonated 1A'Cs
598 H2NCOHNH2+ urea, protonated 1A'Cs
599 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
600 C3H5OH Cyclopropanol 1AC1
601 C3H6O 2-Propen-1-ol 1AC1
602 C3H6O Acetone enol 1A'Cs
603 C3H6O Oxetane 1A1C2v
604 C3H6O Oxetane 1A'Cs
605 CH3CSCH3 Thioacetone 1A1C2v
606 CH3OC2H5 Ethane, methoxy- 1A'Cs
607 FNO2 Nitryl fluoride 1A1C2v
608 FONO Nitrosyl hypofluorite 1A'CS cis
609 ClONO chlorine nitrite 1A'CS cis
610 Cl2CS Thiophosgene 1A1C2v
611 BF3 Borane, trifluoro- 1A'D3h
612 BF3+ boron trifluoride cation 2B2C2v
613 BF3+ boron trifluoride cation   
614 AlF3 Aluminum trifluoride 1A1'D3h
615 ScF3 Scandium trifluoride 1A1'D3h
616 GaF3 Gallium trifluoride 1A1'D3h
617 GaCl3 Gallium trichloride 1A1'D3h
618 BBr3 Boron tribromide 1A1'D3h
619 CF3- Trifluoromethyl anion 1A1C3v
620 CF3+ Trifluoromethyl cation 1A1'D3h
621 SiF3 Silicon trifluoride radical 2A1C3v
622 SiF3+ Silicon trifluoride cation 1A1'D3h
623 FOOF Perfluoroperoxide 1AC2
624 ClO2F Chloryl fluoride 1A'Cs
625 F2SO Thionyl Fluoride 1A'Cs
626 ClOOCl Dichlorine dioxide 1AC2
627 NCl3 nitrogen trichloride 1A1C3v
628 AsCl3 Arsenous trichloride 1A1C3v
629 NBr3 Nitrogen Tribromide 1A1C3v
630 PBr3 Phosphorus tribromide 1A1C3v
631 SF3 Sulfur trifluoride 2A'Cs
632 ClF3 Chlorine trifluoride 1A1'D3h
633 ClF3 Chlorine trifluoride 1A1C2v
634 HClO3 Chloric Acid 1A'Cs
635 HClO3 Chloric Acid 1AC1
636 CDCl3 trichloromethane-d 1A1C3v
637 CHFClBr fluorochlorobromomethane 1AC1
638 NF3H+ protonated nitrogen trifluoride 1A1C3v
639 AsF3H+ Arsenic trifluoride, protonated   
640 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
641 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
642 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
643 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
644 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
645 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
646 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
647 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
648 CH2FCH2CH3 1-Fluoropropane 1A'Cs
649 CH3CHFCH3 2-Fluoropropane 1A'Cs
650 B5H9 pentaborane9   
651 C5H5 cyclopentadienyl radical 2B1C2v
652 C5H6 Propellane 1A1D3h
653 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
654 C5H8 1-pentyne 1A'Cs
655 C5H8 Ethenylcyclopropane 1A'Cs
656 CH2N4 1H-Tetrazole 1A'Cs
657 C3H3N2 imidazolyl radical 2B1C2v
658 C3H3N2- imidizolyl anion 1A1C2v
659 C4H4N pyrrolide radical 2A2C2v
660 C4H4N- pyrrolide anion 1A1C2v
661 C3H4N2 1H-Imidazole 1A'Cs
662 C3H4N2 2H-Imidazole 1A1C2v
663 C3H4N2 4H-Imidazole 1A'Cs
664 C4H6N+ pyrrole, alpha-protonated 1A'Cs
665 C4H6N+ pyrrole, beta-protonated 1A'Cs
666 C4H6N+ pyrrole, protonated 1A1C2v
667 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
668 MgCO3 Magnesium Carbonate 1A1C2v
669 BeCO3 Beryllium Carbonate 1A1C2v
670 ONONO Nitrosyl nitrite 1A1C2v
671 HOONO2 peroxy nitric acid 1AC1
672 HSO4- bisulfate anion 1A'Cs
673 C3H2O2 Propiolic acid 1A'Cs
674 H2SeO4 Selenic acid 1AC2
675 C3H3NO Oxazole 1A'Cs
676 H3PO4 Phosphoric Acid 1AC3
677 CH3COCCH 3-butyn-2-one 1A'Cs
678 HOCHCCHOH allenediol 1AC2
679 C2H4O3 1,2,3-trioxolane 1A'Cs
680 CH3OCH2CN Methoxyacetonitrile 1A'Cs
681 CH3OCH2CN Methoxyacetonitrile 1AC1
682 CH3SO2NH2 methanesulfonamide 1A'Cs
683 CH2CHSCHCH2 Divinyl sulfide   
684 C2H6O2S Dimethyl sulfone 1A1C2v
685 C4H8S Thiophene, tetrahydro- 1AC1
686 C4H10O Methyl propyl ether 1AC1
687 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
688 ClONO2 Chlorine nitrate 1A'Cs
689 BrONO2 Bromine nitrate 1A'Cs
690 SO2F2 Sulfuryl fluoride 1A1C2v
691 TiF4 Titanium tetrafluoride 1A1Td
692 CBr2Cl2 dibromodichloromethane 1A1C2v
693 CBr3Cl tribromochloromethane 1A1C3v
694 SiBr4 Silicon tetrabromide 1A1Td
695 ClOF3 Chlorine trifluoride oxide 1A'Cs
696 HClO4 perchloric acid 1ACs
697 CF3OH trifluoromethanol 1A'Cs
698 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
699 CH3CBr3 1,1,1-tribromoethane 1A1C3v
700 SiH3CCl3 (trichloromethyl)silane 1A1C3v
701 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
702 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
703 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
704 NH3BF3 Amminetrifluoroboron 1A1C3v
705 C6H2 hexatriyne 1ΣgD∞h
706 C6H5- phenyl anion 1A1C2v
707 C6H6 1,2,4,5-Hexatetraene 1AgC2h
708 C6H6 Benzvalene 1A1C2v
709 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
710 C6H6 Trimethylenecycopropane 1A'D3h
711 C6H7+ benzene, protonated 1A1C2v
712 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
713 C6H10 1,5-Hexadiene 1AgC2
714 C6H10 3-Hexyne 1A1C2v
715 C6H12 (1r,3r)-1,3-dimethylcyclobutane 1A'Cs
716 C6H12 (E)-2-Hexene 1AC1
717 C6H12 (E)-hex-3-ene 1AGCi
718 C6H12 (Z)-hex-2-ene 1AC1
719 C6H12 (Z)-hex-3-ene 1AC2
720 C6H12 2,3-dimethylbut-1-ene 1A'C2
721 C6H12 hex-1-ene 1A'Cs
722 C4H2N2 Fumaronitrile 1AgC2h
723 C5H6N+ Pyridinium 1A1C2v
724 Na2CO3 Sodium Carbonate 1A1C2v
725 MgSO4 Magnesium Sulfate 1A1C2v
726 C2H2O4 Oxalic Acid 1AgC2h
727 C2H4O4 Formic acid dimer 1AGC2h
728 C2H5NO3 Nitric acid, ethyl ester 1A'C1
729 C5H6O 2H-Pyran   
730 C5H6O 2-methylfuran 1A'Cs
731 C5H6O 3-Methylfuran 1A'Cs
732 C5H6O Pentadienal   
733 C4H7NO Ethoxyacetonitrile 1A'Cs
734 C3H7ONO Propyl nitrite 1AC1
735 C5H8O Cyclopentanone 1AC2
736 C5H8O Methyl cyclopropyl ketone 1A'Cs
737 C4H8O2 Ethyl acetate 1A'Cs
738 B2Cl4 Diboron tetrachloride 1A1D2
739 CF3OF Trifluoromethylhypofluorite 1A'Cs
740 SOF4 Sulfur tetrafluoride oxide 1A1C2v
741 SF5 Sulfur pentafluoride 2A1C4v
742 SF5+ pentafluoro sulfur cation 1A1'D3h
743 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
744 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
745 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
746 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
747 C4H3ClO Furan, 2-chloro 1A'Cs
748 C4H3ClO Furan,3-chloro 1A'Cs
749 C4H8O2 Butanoic acid 1AC1
750 C7H7 cycloheptatrienyl radical 2A2C2v
751 C7H7+ cycloheptatrienyl cation 1A1'D7h
752 C6H6O 2,5-Cyclohexadienone 1A1C2v
753 C7H10 Norbornene   
754 C6H12O Oxepane   
755 CF3COO- trifluoro acetate anion 1A'Cs
756 PF6 Hexafluorophosphate neutral 2B2C2v
757 PF6- Hexafluorophosphate ion 1A1GOh
758 SeF6 Selenium hexafluoride 1A1GOh
759 SF5Cl sulfur chloropentafluoride 1A1C4v
760 C8H6 Calicene 1A1C2v
761 C8H6 benzocyclobutadiene 1A1C2v
762 C8H16 cyclooctane 1A1D4d
763 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
764 S4N4 Tetrasulfur tetranitride   
765 C4F4 tetrafluorcyclobutadiene 1A1GD4h
766 C4F4 tetrafluorcyclobutadiene 1AGC2h
767 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
768 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
769 C6H4Cl2 1,4-dichlorobenzene   
770 C6H5NO nitrosobenzene 1A'Cs
771 C9H8 spiro[4.4]nona-1,3,6,8-tetraene 1A1D2d
772 C(CN)4 tetracyanomethane 1A1Td
773 C3F6 hexafluoropropene   
774 C6H3F3 Benzene trifluoride 123 1A1C2v
775 C8H18O 1-Octanol   
776 C10H8 Azulene 1A1C2v
777 C10H8 naphthalene 1AgD2h
778 C6N4 Tetracyanoethylene 1AGD2h
779 C4F6 perfluorobutadiene 1AgC2h
780 C4F6 perfluorobutadiene 1AC2
781 S2F10 disulphur decafluoride   
782 C14H14 Bibenzyl 1AC2
783 C6H5COC6H5 benzophenone 1AC2
784 C19H16 Triphenylmethane 1AC3
785 C60 Buckminsterfullerene 1AGIh

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 He+ Helium atom cation he+  
10 HeH Helium hydride heh  
11 Na- Sodium atom anion na-  
12 K Potassium atom k  
13 K- Potassium atom anion k-  
14 K+ Potassium atom cation k+  
15 Cu Copper atom cu  
16 Cu- Copper atom anion cu-  
17 Cu+ Copper atom cation cu+  
18 LiH- lithium hydride anion lih-  
19 NaH- sodium hydride anion nah-  
20 CuH Copper monohydride cuh  
21 Be- Beryllium atom anion be-  
22 Mg- Magnesium atom anion mg-  
23 Ca Calcium atom ca  
24 Ca- Calcium atom anion ca-  
25 Ca+ Calcium atom cation ca+  
26 Zn Zinc atom zn  
27 Zn- Zinc atom anion zn-  
28 Zn+ Zinc atom cation zn+  
29 BeH- berylium monohydride anion beh-  
30 BeH+ beryllium monohydride cation beh+  
31 MgH magnesium monohydride mgh  
32 MgH- magnesium monohydride anion mgh-  
33 MgH+ magnesium monohydride cation mgh+  
34 ZnH Zinc monohydride znh  
35 ZnH+ Zinc, protonated znh+  
36 CaH2 Calcium Hydride cah2  
37 ZnH2 Zinc hydride znh2  
38 B- Boron atom anion b-  
39 Al- Aluminum atom anion al-  
40 BH- boron monohydride anion bh-  
41 BH+ boron monohydride cation bh+  
42 AlH aluminum monohydride alh  
43 AlH- aluminum monohydride anion alh-  
44 AlH+ aluminum monohydride cation alh+  
45 BH2 boron dihydride bh2  
46 AlH2 aluminum dihydride alh2  
47 AlH2- aluminum dihydride anion alh2-  
48 AlH2+ aluminum dihydride cation alh2+  
49 BH3- boron trihydride anion bh3-  
50 AlH3- aluminum trihydride anion alh3-  
51 AlH3+ aluminum trihydride cation alh3+  
52 AlH4- Aluminum tetrahydride anion alh4-  
53 C- Carbon atom anion c-  
54 Si- Silicon atom anion si-  
55 Ti Titanium atom ti  
56 Ti- Titanium atom anion ti-  
57 Ti+ Titanium atom cation ti+  
58 Ge Germanium atom ge  
59 Sn Tin atom sn  
60 Sn+ Tin cation sn+  
61 CH Methylidyne ch  
62 CH- methylidyne anion ch-  
63 CH+ Methylidyne cation ch+  
64 CH2- methylene anion ch2-  
65 SiH2- silicon dihydride anion sih2-  
66 SiH2+ silicon dihydride cation sih2+  
67 SiH3- Silyl anion sih3-  
68 CH4- Methane anion ch4-  
69 CH4+ Methane cation ch4+  
70 SiH2D2 silane-d2 sih2d2  
71 SiH4+ Silane cation sih4+  
72 SnH4 Stannane snh4  
73 SiH5+ Silane, protonated sih5+  
74 N- Nitrogen atom anion n-  
75 P- Phosphorus atom anion p-  
76 P+ Phosphorus atom cation p+  
77 As Arsenic atomic as  
78 Sb Antimony atom sb  
79 NH Imidogen nh  
80 NH- Imidogen anion nh-  
81 NH+ imidogen cation nh+  
82 PH phosphorus monohydride ph  
83 PH- phosphorus monohydride anion ph-  
84 PH+ phosphorus monohydride cation ph+  
85 AsH Arsenic monohydride ash  
86 SbH Antimony monohydride sbh  
87 ND2 Amidogen-d2 nd2  
88 NH2 Amino radical nh2  
89 NH2- amino anion nh2-  
90 PH2 Phosphino radical ph2  
91 PH2- Phosphino anion ph2-  
92 PH2+ Phosphino cation ph2+  
93 AsH2 Arsenic dihydride ash2  
94 ND3 Ammonia-d3 nd3  
95 PH3+ Phosphine cation ph3+  
96 AsH3+ Arsine cation ash3+  
97 SbH3 Stibine sbh3  
98 AsH4+ Arsonium ash4+  
99 NH4 Ammonium radical nh4  
100 PH4 Phosphoranyl radical ph4  
101 O- Oxygen atom anion o-  
102 Cr Chromium atom cr  
103 Se Selenium atom se  
104 Se- Selenium atom anion se-  
105 Se+ Selenium atom cation se+  
106 Te Tellurium atom te  
107 Te+ Tellurium atom cation te+  
108 DO Hydroxyl-d od  
109 OH+ hydoxyl cation oh+  
110 DS Mercapto-d ds  
111 HSe- selenium monohydride anion hse-  
112 TeH Telluryl radical teh  
113 D2O Deuterium oxide d2o  
114 H2O- water anion h2o-  
115 H2O+ water cation h2o+  
116 D2S Hydrogen sulfide-d2 d2s  
117 H2Se+ Hydrogen selenide cation h2se+  
118 H2Te Hydrogen Telluride h2te  
119 Mn Manganese atom mn  
120 Br Bromine atom br  
121 Br- Bromine atom anion br-  
122 Br+ Bromine atom cation br+  
123 I Iodine atom iodine  
124 I- Iodine atom anion iodine-  
125 I+ Iodine atom cation iodine+  
126 DF Hydrofluoric acid-d df  
127 HF- hydrogen fluoride anion hf-  
128 HF+ hydrogen fluoride cation hf+  
129 DCl Hydrochloric acid-d dcl  
130 HCl- hydrogen chloride anion hcl-  
131 HBr hydrogen bromide hbr  
132 HBr- hydrogen bromide anion hbr-  
133 HBr+ hydrogen bromide cation hbr+  
134 HI Hydrogen iodide hi  
135 HI+ Hydrogen iodide cation hi+  
136 H2F+ dihydrogen fluoride cation h2f+  
137 H2I+ Iodonium h2i+  
138 Ne- Neon atom anion ne-  
139 Ar- Argon atom anion ar-  
140 Ar+ Argon atom cation ar+  
141 Fe Iron atom fe  
142 Xe Xenon atom xe  
143 HeLi+ Helium Lithium cation heli+  
144 NeH+ neon hydrogen cation neh+  
145 ArH+ Argon hydride cation arh+  
146 XeH+ Xenon, protonated xeh+  
147 Co Cobalt atom cobalt  
148 Ni Nickel atom ni  
149 Li2- lithium diatomic anion li2-  
150 NaLi lithium sodium lina  
151 NaLi- lithium sodium anion lina-  
152 NaLi+ lithium sodium cation lina+  
153 Na2- sodium diatomic anion na2-  
154 Cu2 Copper diatomic cu2  
155 Be2- Beryllium diatomic anion be2-  
156 Be2+ Beryllium diatomic cation be2+  
157 Mg2- magnesium diatomic anion mg2-  
158 Mg2+ magnesium diatomic cation mg2+  
159 LiAl Lithium Aluminum lial  
160 B2- Boron diatomic anion b2-  
161 Al2 Aluminum diatomic al2  
162 Al2- aluminum diatomic anion al2-  
163 Al2+ aluminum diatomic cation al2+  
164 HBBH Diborane(2) hbbh  
165 B2H6+ Diborane cation b2h6  
166 CaC Calcium monocarbide cac  
167 BC- boron monocarbide anion bc-  
168 BC+ boron monocarbide cation bc+  
169 C2- carbon diatomic anion c2-  
170 SiC- silicon monocarbide anion sic-  
171 SiC+ silicon monocarbide cation sic+  
172 Si2 Silicon diatomic si2  
173 Si2- silcon diatomic anion si2-  
174 Si2+ silcon diatomic cation si2+  
175 SiGe Silicon Germanium sige  
176 C2H+ Ethynyl cation c2h+  
177 ZnCH2 Zinc methylene znch2  
178 C2H2+ acetylene cation c2h2+  
179 CCH2 vinylidene vinylidene  
180 H2CC- vinylidene anion h2cc-  
181 HCCH- acetylene anion c2h2-  
182 Si2H2 disilyne si2h2  
183 CH3Li methyl lithium ch3li  
184 CuCH3 monomethyl copper cuch3  
185 ZnCH3 Zinc monomethyl znch3  
186 C2H3+ vinyl cation c2h3+  
187 C2H4 Ethylene c2h4  
188 C2H4+ Ethylene cation c2h4+  
189 CH3CH methylmethylene ch3ch  
190 CH2SiH2 silaethylene ch2sih2  
191 Si2H4 Disilene si2h4  
192 C2H5+ Ethyl cation c2h5+  
193 C2H6+ ethane cation c2h6+  
194 CH3SiH3 methyl silane ch3sih3  
195 Si2H6 disilane si2h6  
196 GeH3CH3 methyl germane geh3ch3  
197 LiN Lithium Nitride lin  
198 LiN+ Lithium Nitride cation lin+  
199 LiP Lithium monophosphide lip  
200 BeN- Beryllium mononitride anion ben-  
201 MgN Magnesium Nitride mgn  
202 BN- boron nitride anion bn-  
203 AlN- aluminum mononitride anion aln-  
204 AlN+ aluminum mononitride cation aln+  
205 BN+ boron nitride cation bn+  
206 AlN Aluminum nitride aln  
207 CN+ Cyano cation cn+  
208 CP Carbon monophosphide cp  
209 CP- carbon monophosphide anion cp-  
210 CP+ carbon monophosphide cation cp+  
211 SiN Silicon nitride sin  
212 SiN- silicon mononitride anion sin-  
213 SiN+ silicon mononitride cation sin+  
214 SiP- Silicon monophosphide anion sip-  
215 SiP+ Silicon monophosphide cation sip+  
216 TiN Titanium mononitride tin  
217 PN Phosphorus mononitride pn  
218 PN- phosphorus nitride anion pn-  
219 PN+ phosphorus nitride cation pn+  
220 P2- phosphorus diatomic anion p2-  
221 P2+ phosphorus diatomic cation p2+  
222 SbN Antimony nitride sbn  
223 As2 Arsenic diatomic as2  
224 HNB hydrogen nitrogen boron hnb  
225 HNC hydrogen isocyanide hnc  
226 HCN- Hydrogen cyanide anion hcn-  
227 HNC+ hydrogen isocyanide cation hnc+  
228 HCP Phosphaethyne hcp  
229 HCP+ Phosphaethyne cation hcp+  
230 NNH Dinitrogen monohydride nnh  
231 NNH+ Dinitrogen monohydride cation nnh+  
232 HPO Hydrogen phosphorus oxide hpo  
233 HPO+ Hydrogen phosphorus oxide cation hpo+  
234 LiNH2 lithium amide linh2  
235 CNH2+ N-protonated hydrogen isocyanide cnh2+  
236 H2CN+ hydrocyanonium cation h2cn+  
237 HCNH+ N-protonated HCN hcnh+  
238 H2NN Isodiazene h2nn  
239 CH2NH Methanimine ch3n  
240 CH2NH+ Methanimine cation ch2nh+  
241 CHNH2 aminomethylene chnh2  
242 CHNH2+ Aminocarbene cation chnh2+  
243 BH2NH2 Boranamine bh2nh2  
244 N2H4+ hydrazine cation n2h4+  
245 P2H4 Diphosphine p2h4  
246 CH3NH2+ methyl amine cation ch3nh2+  
247 CH3PH2 Methyl phosphine ch3ph2  
248 SiH3NH2 Silane, amino sih3nh2  
249 BH3PH3 borane phosphine bh3ph3  
250 CH3NH3+ protonated methylamine ch3nh3+  
251 NH3NH3 Ammonia Dimer nh3nh3  
252 N2H7+ ammonia ammonium dimer n2h7+  
253 LiO- lithium oxide anion lio-  
254 LiO+ lithium oxide cation lio+  
255 NaO- sodium oxide anion nao-  
256 NaO+ sodium oxide cation nao+  
257 CuO Copper Monoxide cuo  
258 LiSe Lithium monoselenide lise  
259 BeO- Beryllium monoxide anion beo-  
260 BeS beryllium sulfide bes  
261 MgO magnesium oxide mgo  
262 MgO- magnesium oxide anion mgo-  
263 MgO+ magnesium oxide cation mgo+  
264 CaO Calcium monoxide cao  
265 MgS magnesium sulfide mgs  
266 MgS- magnesium sulfide anion mgs-  
267 MgS+ magnesium sulfide cation mgs+  
268 ZnO zinc monoxide zno  
269 ZnS Zinc sulfide zns  
270 BeS- Beryllium monosulfide anion bes-  
271 BeS+ Beryllium monosulfide cation bes+  
272 BO- boron monoxide anion bo-  
273 AlO Aluminum monoxide alo  
274 AlO- Aluminum monoxide anion alo-  
275 AlO+ aluminum monoxide cation alo+  
276 BS boron sulfide bs  
277 BS- boron monosulfide anion bs-  
278 BS+ boron monosulfide cation bs+  
279 AlS Aluminum sulfide als  
280 AlS- aluminum monosulfide anion als-  
281 AlS+ aluminum monosulfide cation als+  
282 GaS Gallium monosulfide gas  
283 BO+ boron monoxide cation bo+  
284 CS carbon monosulfide cs  
285 CS- carbon monosulfide anion cs-  
286 CS+ carbon monosulfide cation cs+  
287 SiO Silicon monoxide sio  
288 SiO- silicon monoxide anion sio-  
289 SiO+ silicon monoxide cation sio+  
290 SiS silicon monosulfide sis  
291 SiS- silicon monosulfide anion sis-  
292 SiS+ silicon monosulfide cation sis+  
293 CSe Carbon monoselenide cse  
294 CSe- Carbon monoselenide anion cse-  
295 CSe+ Carbon monoselenide cation cse+  
296 SiSe Silicon Monoselenide sise  
297 SiSe+ Silicon Monoselenide cation sise+  
298 GeSe Germanium monoselenide gese  
299 NO- nitric oxide anion no-  
300 NS+ nitrogen sulfide cation ns+  
301 PO- phosphorus monoxide anion po-  
302 PO+ phosphorus monoxide cation po+  
303 PS- phosphorus monosulfide anion ps-  
304 PS+ phosphorus monosulfide cation ps+  
305 AsO Arsenic monoxide aso  
306 O2-- dioxygen dianion o2--  
307 SO- sulfur monoxide anion so-  
308 SO+ sulfur monoxide cation so+  
309 S2 Sulfur diatomic s2  
310 S2- sulfur diatomic anion s2-  
311 S2+ sulfur diatomic cation s2+  
312 SeO Selenium monoxide seo  
313 SeO- selenium monoxide anion seo-  
314 SeO+ selenium monoxide cation seo+  
315 SeS Selenium monosulfide ses  
316 SeS- selenium monosulfide anion ses-  
317 SeS+ selenium monosulfide cation ses+  
318 TeO Tellurium monoxide teo  
319 Se2 Selenium diatomic se2  
320 Se2- selenium diatomic anion se2-  
321 Se2+ selenium diatomic cation se2+  
322 Te2 Tellurium diatomic te2  
323 NaOH sodium hydroxide naoh  
324 MgOH magnesium hydroxide mgoh  
325 CaOH Calcium monohydroxide caoh  
326 HBS hydrogen boron sulfide hbs  
327 COH Hydroxymethylidyne coh  
328 HCO Formyl radical hco  
329 HCO+ Formyl cation hco+  
330 HCS Thioformyl radical hcs  
331 HCS- Thioformyl anion hcs-  
332 HCS+ Thioformyl cation hcs+  
333 HNO Nitrosyl hydride hno  
334 HNO- Nitrosyl hydride anion hno-  
335 HNO+ Nitrosyl hydride cation hno+  
336 HNS Sulfur imide hns  
337 HNS- Sulfur imide anion hns-  
338 HO2- Hydroperoxy anion ho2-  
339 HSO+ Sulfur Monoxide, S-protonated HSO+  
340 SOH Sulfur Hydroxide soh  
341 SOH+ Sulfur Monoxide, protonated soh+  
342 H2CO+ formaldehyde cation h2co+  
343 H2CSe Selenoformaldehyde h2cse  
344 H2OO water oxide h2oo  
345 HOSH hydrogen thioperoxide hosh  
346 H2Se2 hydrogen diselenide h2se2  
347 CH3O Methoxy radical ch3o  
348 CH3S thiomethoxy ch3s  
349 NH2OH+ Hydroxylamine cation nh2oh+  
350 NH2SH Thiohydroxylamine nh2sh  
351 NH3S sulfidoazane nh3s  
352 H3O2+ hydrogen peroxide, protonated h3o2+  
353 CH3OH Methyl alcohol ch3oh  
354 CH3SH+ Methanethiol cation ch3sh+  
355 SiH3OH silanol sih3oh  
356 CH3SeH Methane selenol ch3seh  
357 NH2OH2+ protonated hydroxylamine nh2oh2+  
358 NH3OH+ N-protonated hydroxylamine nh3oh+  
359 H2ONH3 Water Ammonia Dimer h2onh3  
360 LiCl- lithium chloride anion licl-  
361 LiCl+ lithium chloride cation licl+  
362 NaF- sodium fluoride anion naf-  
363 NaF+ sodium fluoride cation naf+  
364 KF Potassium Fluoride kf  
365 NaCl- sodium chloride anion nacl-  
366 NaCl+ sodium chloride cation nacl+  
367 KCl Potassium Chloride kcl  
368 CuF Copper monofluoride cuf  
369 LiBr Lithium Bromide libr  
370 LiBr- lithium bromide anion libr-  
371 LiBr+ lithium bromide cation libr+  
372 CuCl Copper monochloride cucl  
373 NaBr Sodium Bromide nabr  
374 NaBr- sodium bromide anion nabr-  
375 NaBr+ sodium bromide cation nabr+  
376 KBr Potassium Bromide kbr  
377 LiI Lithium Iodide lii  
378 NaI Sodium Iodide nai  
379 KI Potassium Iodide ki  
380 LiF- lithium fluoride anion lif-  
381 LiF+ lithium fluoride cation lif+  
382 BeF Beryllium monofluoride bef  
383 BeF+ Beryllium monofluoride cation bef+  
384 BeCl beryllium monochloride becl  
385 MgF Magnesium monofluoride mgf  
386 MgF- magnesium fluoride anion mgf-  
387 CaF Calcium monofluoride caf  
388 MgCl magnesium monochloride mgcl  
389 MgCl- magnesium monochloride anion mgcl-  
390 MgCl+ magnesium monochloride cation mgcl+  
391 CaCl calcium monochloride cacl  
392 ZnF- Zinc monofluoride anion znf-  
393 ZnF+ Zinc monofluoride cation znf+  
394 ZnCl Zinc monochloride zncl  
395 CaBr Calcium monobromide cabr  
396 BeCl- beryllium monochloride anion becl-  
397 BeCl+ beryllium monochloride cation becl+  
398 BF- Boron monofluoride anion bf-  
399 BF+ Boron monofluoride cation bf+  
400 AlF Aluminum monofluoride alf  
401 AlF- Aluminum monofluoride anion alf-  
402 AlF+ Aluminum monofluoride cation alf+  
403 BCl boron monochloride bcl  
404 BCl- boron monochloride anion bcl-  
405 BCl+ boron monochloride cation bcl+  
406 AlCl- aluminum monochloride anion alcl-  
407 AlCl+ aluminum monochloride cation alcl+  
408 AlBr Aluminum monobromide albr  
409 AlI Aluminum monoiodide ali  
410 GaBr Gallium monobromide gabr  
411 CF Fluoromethylidyne cf  
412 CF- carbon monofluoride anion cf-  
413 CF+ carbon monofluoride cation cf+  
414 CCl carbon monochloride ccl  
415 CCl- carbon monochloride anion ccl-  
416 CCl+ carbon monochloride cation ccl+  
417 SiCl Clorosilylidyne sicl  
418 SiCl- silicon monochloride anion sicl-  
419 SiCl+ silicon monochloride cation sicl+  
420 GeCl+ Germanium monochloride cation gecl+  
421 SiBr+ Silicon monobromide cation sibr+  
422 NF nitrogen fluoride nf  
423 NF- nitrogen monofluorine anion nf-  
424 NF+ nitrogen monofluoirde cation nf+  
425 NCl nitrogen monochloride ncl  
426 NCl- nitrogen monochloride anion ncl-  
427 NCl+ nitrogen monochloride cation ncl+  
428 PF phosphorus monofluoride pf  
429 PF- phosphorus monofluoride anion pf-  
430 PF+ phosphorus monofluoride cation pf+  
431 PCl phosphorus chloride pcl  
432 PCl- phosphorus monochloride anion pcl-  
433 PCl+ phosphorus monochloride cation pcl+  
434 PBr Phosphorus monobromide pbr  
435 SbF Antimony monofluoride sbf  
436 SbCl Antimony monochloride sbcl  
437 FO- flourine oxide anion fo-  
438 FO+ fluorine monoxide cation fo+  
439 ClO Monochlorine monoxide clo  
440 ClO- chlorine monoxide anion clo-  
441 ClO+ chlorine monoxide cation clo+  
442 SF- sulfur monofluoride anion sf-  
443 SF+ sulfur monofluoride cation sf+  
444 SCl- sulfur monochloride anion scl-  
445 SCl+ sulfur monochloride cation scl+  
446 BrO+ Bromine monoxide cation bro+  
447 SBr Sulfur monobromide radical sbr  
448 SBr+ Sulfur monobromide cation sbr+  
449 IO Iodine monoxide io  
450 SeBr Selenium monobromide sebr  
451 BrCl Bromine monochloride brcl  
452 F2+ flourine diatomic cation f2+  
453 ClF Chlorine monofluoride clf  
454 ClF- clorine monofluoride anion clf-  
455 ClF+ clorine monofluoride cation clf+  
456 Cl2+ chlorine diatomic cation cl2+  
457 BrF Bromine monofluoride brf  
458 BrF- bromine fluoride anion brf-  
459 BrF+ bromine fluoride cation brf+  
460 BrCl- bromine chloride anion brcl-  
461 BrCl+ bromine chloride cation brcl+  
462 IF Iodine monofluoride if  
463 Br2 Bromine diatomic br2  
464 Br2- bromine diatomic anion br2-  
465 Br2+ bromine diatomic cation br2+  
466 ICl Iodine monochloride icl  
467 IBr Iodine monobromide ibr  
468 I2 Iodine diatomic i2  
469 I2+ Iodine diatomic cation i2+  
470 HCF Fluoromethylene hcf  
471 HSiF fluorosilylene hsif  
472 HSiCl Chlorosilylene hsicl  
473 HSiBr monobromosilylene hsibr  
474 HOF Hypofluorous acid hfo  
475 DOCl Hypochlorous acid-d docl  
476 HOCl hypochlorous acid hocl  
477 HOCl+ hypochlorous acid cation hocl+  
478 HOI Hypoiodous acid hoi  
479 FHF Hydrogen difluoride fhf  
480 ClFH+ Chlorine fluoride, F-protonated clfh+  
481 FClH+ Chlorine fluoride, Cl-protonated fclh+  
482 CH2F+ fluoromethyl cation ch2f+  
483 CH2Cl+ chloromethyl cation ch2cl+  
484 CH2Cl chloromethyl radical ch2cl  
485 NH2F monofluoroamine nh2f  
486 NH2Cl chloramine nh2cl  
487 H2F2 Hydrogen fluoride dimer h2f2  
488 CH3F+ methyl fluoride cation ch3f+  
489 CH3Cl Methyl chloride ch3cl  
490 CH3Cl+ Methyl chloride cation ch3cl+  
491 SiH3F monofluorosilane sih3f  
492 SiH3Cl chlorosilane sih3cl  
493 CH3Br methyl bromide ch3br  
494 GeH3F monofluorogermane geh3f  
495 GeH3Cl monochlorogermane geh3cl  
496 CH3I methyl iodide ch3i  
497 SiH3I Silyl Iodide sih3i  
498 NH3Cl+ protonated monochloroammonia nh3cl+  
499 CH3ClH+ methyl chloride, protonated ch3clh+  
500 NH4Cl Ammonium chloride nh4cl  
501 LiNe+ Lithium Neon cation line+  
502 Ne2 Neon diatomic ne2  
503 C3+ carbon trimer cation c3+  
504 SiC2 Silicon dicarbide sic2  
505 C3H3 Propargyl radical propargyl  
506 C3H3- Propargyl anion c3h3-  
507 C3H3+ cyclopropenyl cation cpr+  
508 C3H3+ Propargyl cation c3h3+  
509 C3H4 cyclopropene cprop  
510 CH2CCH2 allene allene  
511 CH3CCH propyne propyne  
512 Zn(CH3)2 dimethyl zinc dmz  
513 SiH2(CH3)2 dimethylsilane dms  
514 Si3H8 trisilane si3h8  
515 NaCN Sodium Cyanide nacn  
516 CuCN Copper cyanide cucn  
517 AlCN Aluminum monocyanide alcn  
518 AlNC Aluminum isocyanide alnc  
519 CNN Diazocarbene cnn  
520 N3- azide anion n3-  
521 HCNN diazomethyl radical hcnn  
522 HN3 hydrogen azide hn3  
523 HN3+ Hydrazoic acid cation hn3+  
524 HNCNH diiminomethane hncnh  
525 CH2N2 diazirine ch2n2  
526 CH2NN diazomethane ch2nn  
527 HNNNH+ 1,2-Triazadienium n2h3+  
528 NH2NN+ hydrazoic acid, protonated nh2nn+  
529 CH3CN Acetonitrile ch3cn  
530 CH3CN- acetonitrile anion ch3cn-  
531 CH3CN+ Acetonitrile cation ch3cn+  
532 CH3NC methyl isocyanide ch3nc  
533 CHNCH2 2H-Azirine c157164  
534 CHNHCH 1H-Azirine chnhch  
535 HCNCH2+ 2H-Azirine cation hcnch2+  
536 NH2CNH+ cyanamide, cn protonated nh2cnh+  
537 NH3CN+ cyanamide, amine protonated nh3cn+  
538 NHCHNH2 aminomethanimine cn2h4  
539 C2H5N Aziridine c2h5n  
540 CH2CHNH2 aminoethene aminoethene  
541 CH2NCH3 N-methylmethanimine nmm  
542 NH2BHNH2 diaminoborane nh2bhnh2  
543 CH3NHCH3 Dimethylamine ch3nhch3  
544 NH2CH2NH3+ diaminoethane, protonated pdam  
545 Na2S Sodium sulfide na2s  
546 LiO2 Lithium dioxide lio2  
547 NaO2 Sodium superoxide nao2  
548 CNO- fulminate cno-  
549 NCO- cyanate nco-  
550 SCN thiocyanato radical scn  
551 SCN- thiocyanide anion scn-  
552 BO2 Boron dioxide bo2  
553 BO2- Boron dioxide anion bo2-  
554 BO2+ Boron dioxide cation bo2+  
555 N2O+ Nitrous oxide cation n2o+  
556 CO2- Carbon dioxide anion co2-  
557 CO2+ Carbon dioxide cation co2+  
558 OCS Carbonyl sulfide cos  
559 OCS+ Carbonyl sulfide cation cos+  
560 SiO2 silicon dioxide sio2  
561 CS2 Carbon disulfide cs2  
562 CS2- Carbon disulfide anion cs2-  
563 CS2+ Carbon disulfide cation cs2+  
564 GeO2 Germanium dioxide geo2  
565 OCSe Carbonyl selenide ocse  
566 SCSe Carbon sulfide selenide scse  
567 SCTe Carbon sulfide Telluride scte  
568 NO2- Nitrogen dioxide anion no2-  
569 NSO sulfinyl amidogen NSO  
570 PO2 Phosphorus dioxide po2  
571 PO2- Phosphorus dioxide anion po2-  
572 PO2+ Phosphorus dioxide cation po2+  
573 SNO Nitrogen oxide sulfide sno  
574 O3- Ozone anion o3-  
575 O3+ Ozone cation o3+  
576 SO2- Sulfur dioxide anion so2-  
577 SO2+ Sulfur dioxide cation so2+  
578 SSO Disulfur monoxide sso  
579 S3 Sulfur trimer s3  
580 SeO2 Selenium dioxide seo2  
581 TeO2 Tellurium Dioxide teo2  
582 HCCO ketenyl radical ketenyl  
583 CS2H+ Carbon disulfide, protonated cs2h+  
584 HNCO Isocyanic acid hnco  
585 HOCN cyanic acid hocn  
586 HNCS Isothiocyanic acid hncs  
587 HSCN thiocyanic acid hscn  
588 HCO2- formate anion hco2-  
589 HNNO nitrosoazane hnno  
590 HOCO Hydrocarboxyl radical hoco  
591 HOCO+ Hydrocarboxyl cation hoco+  
592 HNO2 Nitrous acid hno2  
593 HNO2+ nitrous acid cation hno2+  
594 C2H2O Oxirene oxirene  
595 CH2CO Ketene ch2co  
596 CH2CO+ Ketene cation ch2co+  
597 HCCOH ethynol hccoh  
598 CH2CS Thioketene ch2cs  
599 CH2O2 Dioxirane diox  
600 NaOCH3 Sodium methoxide naoch3  
601 CH2CHO Vinyloxy radical ch2cho  
602 CH3CO Acetyl radical ch3co  
603 CH3CO- Acetyl anion ch3co-  
604 CH3CO+ acetyl cation ch3co+  
605 CH2NOH formaldoxime ch2noh  
606 CHONH2 formamide formamide  
607 CHSNH2 thioformamide chsnh2  
608 NHCHSH Methanimidothioic acid nhchsh  
609 CH2OOH CH2OOH radical ch2ooh  
610 CH3OO methylperoxy radical ch3oo  
611 CH3OO- methylperoxy anion ch3oo-  
612 CH3OO+ methylperoxy cation ch3oo+  
613 C2H4O Ethylene oxide c2h4o  
614 C2H4O+ ethylene oxide cation c2h4o+  
615 CH2CHOH ethenol ch2choh  
616 CH3CHO Acetaldehyde ch3cho  
617 CH3CHO+ acetaldehyde cation ch3cho+  
618 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
619 C2H4S Thiirane thiirane  
620 CH2CHSH Ethenethiol ch2chsh  
621 CH3CHS Thioacetaldehyde ch3chs  
622 NH2CHOH+ Formamide, O-protonated nh2choh+  
623 NH3CHO+ Formamide, N-Protonated nh3cho+  
624 CH3OOH Methyl peroxide ch3ooh  
625 CH3SSH Hydrogen methyl disulfide ch3ssh  
626 HSCH2SH Methanedithiol ch4s2  
627 H2OH2CO water formaldehyde dimer h2oh2co  
628 CH3CH2O Ethoxy radical ethoxy  
629 CH3OCH2 methoxymethyl radical ch3och2  
630 NH2CH2OH aminomethanol nh2ch2oh  
631 CH3CH2OH Ethanol etoh  
632 CH3OCH3 Dimethyl ether meome  
633 CH3SCH3 Dimethyl sulfide mesme  
634 CH3SCH3+ dimethyl sulfide cation mesme+  
635 CH3OHH2O methanol water dimer ch3ohh2o  
636 H2OCH3OH water methanol dimer h2och3oh  
637 ZnF2 Zinc difluoride znf2  
638 FCN Cyanogen fluoride fcn  
639 ClCN chlorocyanogen clcn  
640 BrCN Cyanogen bromide brcn  
641 ICN Cyanogen iodide icn  
642 FBO Boron monofluoride monoxide fbo  
643 MgCl2 Magnesium dichloride mgcl2  
644 ZnCl2 Zinc dichloride zncl2  
645 BeBr2 Beryllium bromide bebr2  
646 CaBr2 Calcium dibromide cabr2  
647 CaF2 Calcium difluoride caf2  
648 FNO Nitrosyl fluoride fno  
649 ClNO Nitrosyl chloride clno  
650 OPCl Phosphorus oxychloride opcl  
651 BrNO Nitrosyl bromide brno  
652 INO Nitrosyl iodide ino  
653 CF2 Difluoromethylene cf2  
654 CF2- Difluoromethylene anion cf2-  
655 CF2+ Difluoromethylene cation cf2+  
656 SiF2 Silicon difluoride sif2  
657 CCl2 dichloromethylene ccl2  
658 CCl2- dichloromethylene anion ccl2-  
659 CCl2+ dichloromethylene cation ccl2+  
660 SiCl2 Dichlorosilylene sicl2  
661 GeCl2 Germanium dichloride gecl2  
662 FOO Dioxygen monofluoride radical foo  
663 FOO+ Fluorine dioxide cation foo+  
664 ClOO chloroperoxy radical cloo  
665 ClOO+ chloroperoxy cation cloo+  
666 OClO Chlorine dioxide oclo  
667 OClO+ Chlorine dioxide cation oclo+  
668 ClS2 Sulfur chloride cls2  
669 BrOO Bromine dioxide broo  
670 OBrO Bromine dioxide radical obro  
671 NF2 Difluoroamino radical nf2  
672 NF2+ Difluoroamino cation nf2+  
673 PF2 Phosphorus difluoride pf2  
674 PF2+ Phosphorus difluoride cation pf2+  
675 F2O Difluorine monoxide f2o  
676 SF2 sulfur difluoride sf2  
677 SF2+ sulfur difluoride cation sf2+  
678 Cl2O Dichlorine monoxide cl2o  
679 SeF2 Selenium difluoride sef2  
680 BrOCl Bromine hypochlorite brocl  
681 SeCl2 Selenium Dichloride secl2  
682 SBr2 Sulfur dibromide sbr2  
683 SeBr2 Selenium dibromide sebr2  
684 BrOBr Bromine oxide brobr  
685 Br3- tribromide anion br3-  
686 I3- triiodide i3-  
687 SFCl Sulfur chloride fluoride sfcl  
688 HCCF Fluoroacetylene hccf  
689 HCCF+ fluoroacetylene cation hccf+  
690 HFCO formyl fluoride hfco  
691 COHCl Formyl chloride cohcl  
692 COHBr Formyl bromide cohbr  
693 BHF2 Difluoroborane bhf2  
694 BHCl2 Borane, dichloro- bhcl2  
695 CHF2+ difluoromethyl cation chf2+  
696 CHFCl Chlorofluoromethyl radical chfcl  
697 CHFCl+ Chlorofluoromethyl cation chfcl+  
698 CHCl2+ dichloromethyl cation chcl2+  
699 CHBr2 dibromomethyl radical chbr2  
700 HOClO Chlorous acid hoclo  
701 NHF2 difluoramine nhf2  
702 NHCl2 dichloroamine nhcl2  
703 CH2F2 Methane, difluoro- ch2f2  
704 CH2FCl fluorochloromethane ch2fcl  
705 SiH2F2 difluorosilane sih2f2  
706 CH2Cl2 Methylene chloride ch2cl2  
707 CH2BrF Methane, bromofluoro- ch2fbr  
708 CH2FI fluoroiodomethane ch2fi  
709 CH2Br2 dibromomethane ch2br2  
710 CH2ClI chloroiodomethane ch2cli  
711 CH2BrI bromoiodomethane ch2bri  
712 CH2I2 Diiodomethane ch2i2  
713 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
714 CH2CHF Ethene, fluoro- ch2chf  
715 CH2CHF+ fluoroethene cation ch2chf+  
716 C2H3Cl Ethene, chloro- ch2chcl  
717 C2H3Br vinyl bromide c2h3br  
718 C2H3I Vinyl iodide c2h3i  
719 CH2FOH fluoromethanol ch2foh  
720 CH3OCl methyl hypochlorite ch3ocl  
721 C2H5F fluoroethane c2h5f  
722 CH3CH2Cl Ethyl chloride c2h5cl  
723 CH3SiFH2 fluoromethylsilane ch3sifh2  
724 C2H5Br Ethyl bromide etbr  
725 C2H5I Ethyl iodide c2h5i  
726 XeF2 Xenon difluoride xef2  
727 C4 Carbon tetramer c4  
728 C4+ Carbon tetramer cation c4+  
729 C4H2+ diacetlyene cation c4h2+  
730 C2H3CCH 1-Buten-3-yne c2h3cch  
731 C4H4 Tetrahedrane c4h4  
732 H2CCCCH2 Butatriene h2cccch2  
733 C4H6 1-Methylcyclopropene c3100047  
734 C4H6 Cyclobutene c822355  
735 C4H6 Methylenecyclopropane c6142730  
736 CH2CCHCH3 1,2-Butadiene butad12  
737 CH2CHCHCH2 1,3-Butadiene c106990  
738 CH3CCCH3 2-Butyne c503173  
739 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
740 CH3CHCHCH3 2-Butene, (E)- bute2e  
741 CH3CHCHCH3 2-Butene, (Z)- bute2z  
742 B(CH3)3 trimethylborane bme3  
743 Al(CH3)3 trimethyl aluminum tma  
744 C(CH3)3 Tert-butyl radical tbutyl  
745 CH2CH(CH3)2 Isobutyl radical isobutyl  
746 CH3CHCH2CH3 2-Butyl radical butyl2  
747 CH3CH(CH3)CH3 Isobutane isobutane  
748 SiH(CH3)3 trimethylsilane trimsi  
749 C2N2+ Cyanogen cation c2n2+  
750 P4 Phosphorus tetramer p4  
751 HCCCN Cyanoacetylene hcccn  
752 H2CNCN cyanamide, methylene ch2ncn  
753 HNCCNH Ethenediimine hnccnh  
754 C3H3N acrylonitrile ch2chcn  
755 C3H3N+ acrylonitrile cation ch2chcn+  
756 C2H5CN ethyl cyanide c2h5cn  
757 CH5N3 Guanidine guanidine  
758 H2NCHCHNH2 diaminoethylene dae  
759 C3H7N Cyclopropylamine cpram  
760 C3H7N Azetidine azet  
761 C2H8N2 Ethylenediamine ethdiam  
762 CH3NHNHCH3 dimethyl hydrazine dmh  
763 CH3CH(NH2)CH3 2-Propanamine pram2  
764 N(CH3)3 Trimethylamine trimeam  
765 N(SiH3)3 trisilylamine tsa  
766 As(CH3)3 trimethyl arsine tmas  
767 Li2O2 dilithium dioxide li2o2  
768 Na2O2 disodium dioxide na2o2  
769 K2O2 dipotassium dioxide k2o2  
770 B2O2 Diboron dioxide b2o2  
771 CO3-- carbonate co3--  
772 CS3-- Carbonotrithioate cs3--  
773 NO3 Nitrogen trioxide no3  
774 SO3 Sulfur trioxide so3  
775 SO3- Sulfur trioxide anion so3-  
776 SO3-- Sulfate dianion so3--  
777 SO3+ Sulfur trioxide cation so3+  
778 S4 Sulfur tetramer s4  
779 TeO3 Tellurium trioxide teo3  
780 HCO3- bicarbonate anion hco3-  
781 HNO3 Nitric acid hno3  
782 HSO3 Hydroxysulfonyl radical hso3  
783 C2H2CO cyclopropenone c2h2co  
784 C3H2O Propadienal c3h2o  
785 HCCCHO 2-propynal hcccho  
786 C2H2O2 Ethanedial c2h2o2  
787 C2H2O2+ Ethanedial cation c2h2o2+  
788 H2CO3 Carbonic acid h2co3  
789 H2CS3 thiocarbonic acid h2cs3  
790 C2H3NO Nitrosoethylene c2h3no  
791 CH3NCO methylisocyante ch3nco  
792 HOCH2CN cyanomethanol hoch2cn  
793 CH3COO- acetate anion ch3coo-  
794 CH3NO2 Methane, nitro- ch3no2  
795 CH3ONO Methyl nitrite ch3ono  
796 H3BO3 Boric acid h3bo3  
797 H3AlO3 Aluminum hydroxide h3alo3  
798 C3H4O 2-Propyn-1-ol c107197  
799 C3H4O allenol c9000071  
800 C3H4O Cyclopropanone cpone  
801 C3H4O Methylketene c6004440  
802 CH2CHCHO Acrolein c3h4o  
803 NH2CONH2 Urea urea  
804 NH2CONH2+ Urea cation urea+  
805 NH2CSNH2 Thiourea thiourea  
806 C2H4O2 1,3-dioxetane c2h4o2  
807 CH3COOH Acetic acid ch3cooh  
808 CH3OCHO methyl formate ch3ocho  
809 CHOCH2OH hydroxy acetaldehyde haa  
810 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
811 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
812 HCOOHH2O Formic acid water dimer hcoohh2o  
813 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
814 CH2C(OH)NH2 1-amino vinyl alchohol ava  
815 CH3C(OH)=NH Ethaninidic acid eia  
816 CH3CHNOH Acetaldoxime acetaldoxime  
817 CH3CONH2 Acetamide acetamide  
818 HCONHCH3 N-methylformamide nmfa  
819 CH3CSNH2 Ethanethioamide ch3csnh2  
820 C2H5OO ethylperoxy radical c2h5oo  
821 C3H6O Propylene oxide prox  
822 CH3CH2CHO Propanal propanal  
823 CH3COCH3 Acetone acetone  
824 CH3COCH3- acetone anion ch3coch3-  
825 C3H6S Thietane thietane  
826 C3H6S Thiirane, methyl- methiirane  
827 C2H6O2 1,2-Ethanediol ethdiol  
828 CH3OOCH3 dimethylperoxide dmp  
829 CH3SOCH3 Dimethyl sulfoxide dmso  
830 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
831 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
832 CH3COHCH3+ acetone, protonated acetoneh+  
833 HOCH2CH2NH2 monoethanolamine mea  
834 C3H7OH 1-Propanol proh  
835 CH3CHOHCH3 Isopropyl alcohol isoproh  
836 C3H7SH 1-Propanethiol prsh  
837 CH3CHSHCH3 2-Propanethiol isoprsh  
838 CH3SCH2CH3 Ethane, (methylthio)- etsme  
839 H2OCH3OCH3 water dimethylether dimer h2och3och3  
840 Li2F2 Lithium fluoride dimer li2f2  
841 Na2F2 Sodium Fluoride Dimer na2f2  
842 Na2Cl2 Disodium dichloride na2cl2  
843 C2F2 difluoroacetylene c2f2  
844 C2Cl2 dichloroacetylene c2cl2  
845 C2Cl2+ dichloroacetylene cation c2cl2+  
846 ClNO2 Nitryl chloride clno2  
847 BrONO Bromine nitrite brono  
848 N2F2 (Z)-Difluorodiazene n2f2_z  
849 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
850 CF2O Carbonic difluoride f2co  
851 CF2O+ Carbonic difluoride cation f2co+  
852 COFCl Carbonic chloride fluoride cofcl  
853 CCl2O Phosgene cl2co  
854 COBr2 Carbonic dibromide cobr2  
855 BF3- Borane, trifluoro- anion bf3-  
856 BClF2 Chlorodifluoroborane bclf2  
857 AlF2Cl Aluminum chloride difluoride alclf2  
858 AlFCl2 Aluminum dichloride fluoride alcl2f  
859 BCl3 Borane, trichloro- bcl3  
860 BCl3+ Boron Trichloride cation bcl3+  
861 AlCl3 Aluminum trichloride alcl3  
862 AlBr3 Aluminum Bromide albr3  
863 ClO3 Chlorine trioxide clo3  
864 ClO3- chlorate anion clo3-  
865 BrO3- Bromate anion bro3-  
866 CF3 Trifluoromethyl radical cf3  
867 CF2Cl difluorochloromethyl radical cf2cl  
868 CFCl2 dichlorofluoromethyl radical cfcl2  
869 CCl3 Trichloromethyl radical ccl3  
870 CCl3- Trichloromethyl anion ccl3-  
871 CCl3+ Trichloromethyl cation ccl3+  
872 SiCl3 trichlorosilyl radical sicl3  
873 SiCl3+ trichlorosilyl cation sicl3+  
874 CBr3 tribromomethyl radical cbr3  
875 FSSF Difluorodisulfane fssf  
876 S2F2 Thio-thionyl fluoride s2f2  
877 SOCl2 thionyl chloride socl2  
878 SSCl2 Thiothionyl chloride sscl2  
879 SeOCl2 selenium oxychloride seocl2  
880 NF3 Nitrogen trifluoride nf3  
881 NF3- Nitrogen trifluoride anion nf3-  
882 NF3+ Nitrogen trifluoride cation nf3+  
883 PF3 Phosphorus trifluoride pf3  
884 AsF3 Arsenic trifluoride asf3  
885 PCl3 Phosphorus trichloride pcl3  
886 SbF3 Antimony Trifluoride sbf3  
887 SbCl3 Antimony Trichloride sbcl3  
888 AsBr3 Arsenic tribromide asbr3  
889 NI3 Nitrogen triiodide ni3  
890 PI3 Phosphorus triiodide pi3  
891 ClSSCl Disulfur dichloride s2cl2  
892 BrF3 Bromine trifluoride brf3  
893 IF3 iodone trifluoride if3  
894 CHF3 Methane, trifluoro- chf3  
895 CHF2Cl difluorochloromethane chf2cl  
896 SiHF3 trifluorosilane sihf3  
897 CHFCl2 fluorodichloromethane chfcl2  
898 CHCl3 Chloroform chcl3  
899 CHBrF2 Methane, bromodifluoro- chbrf2  
900 SiHCl3 Trichlorosilane sihcl3  
901 CHBrCl2 Methane, bromodichloro- chbrcl2  
902 CHF2I difluoroiodomethane chf2i  
903 CHBr2F dibromofluoromethane chbr2f  
904 CHFClI fluorochloroiodomethane chfcli  
905 CHCl2I dichloroiodomethane chcl2i  
906 CHClBr2 Methane, dibromochloro- chclbr2  
907 CHBr3 bromoform chbr3  
908 CHI3 Iodoform chi3  
909 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
910 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
911 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
912 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
913 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
914 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
915 C2H2Br2 1,1-dibromoethene c2h2br2  
916 CH2FCHO Fluoroacetaldehyde ch2fcho  
917 CH3COF Acetyl fluoride ch3cof  
918 CH2ClCHO chloroacetaldehyde ch2clcho  
919 CH3COCl Acetyl Chloride ch3cocl  
920 C2H4F2 1,2-difluoroethane c2h4f2  
921 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
922 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
923 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
924 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
925 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
926 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
927 CH2CFCH3 2-fluoropropene 2fpro  
928 CH2CHCH2F Allyl Fluoride allylf  
929 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
930 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
931 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
932 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
933 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
934 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
935 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
936 CH3CHClCH3 Propane, 2-chloro- prcl2  
937 CH3CH2CH2Br n-propyl bromide prbr  
938 CH3CHBrCH3 i-propyl bromide iprbr  
939 C3H9O+ trimethyl oxonium cation c3h9o+  
940 C5H4 pentatetraene ptrene  
941 C5H5- cylopentadienyl anion c5h5-  
942 C5H6 1,3-Cyclopentadiene c542927  
943 C5H6 1-Buten-3-yne, 2-methyl- c78808  
944 C5H6 3-Penten-1-yne, (E)- c2004695  
945 C5H6 3-Penten-1-yne, (Z)- c1574409  
946 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
947 C5H6 Cyclopropylacetylene c6746947  
948 C5H7 1,3-pentadienyl radical pdyl  
949 C5H7 cyclopentenyl radical cpyl  
950 C5H8 1,2-Butadiene, 3-methyl- c598254  
951 C5H8 1,2-Pentadiene c591957  
952 C5H8 1,3-Butadiene, 2-methyl- c78795  
953 C5H8 1,3-Pentadiene, (E)- c2004708  
954 C5H8 1,4-Pentadiene c591935  
955 C5H8 2,3-Pentadiene c591968  
956 C5H8 Bicyclo[1.1.1]pentane bcp  
957 C5H8 Cyclobutane, methylene- c1120565  
958 C5H8 Cyclopentene c142290  
959 CH3CCCH2CH3 2-Pentyne 2pentyne  
960 C5H10 1-Butene, 2-methyl- c563462  
961 C5H10 2-Butene, 2-methyl- c513359  
962 C5H10 2-Pentene, (E)- c646048  
963 C5H10 2-Pentene, (Z)- c627203  
964 C5H10 Cyclopentane c287923  
965 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
966 CH2CHCH2CH2CH3 1-pentene pentene  
967 C5H11 2-Methylbut-2-yl radical c4348350  
968 C5H12 Butane, 2-methyl- buta2  
969 C5H12 Pentane pentane  
970 C5H12 Propane, 2,2-dimethyl- neopentane  
971 Si(CH3)4 tetramethylsilane tms  
972 N2O3 Dinitrogen trioxide n2o3  
973 C3H2N2 Malononitrile c3h2n2  
974 C2H3N3 1H-1,2,4-Triazole c288880  
975 C3H4N2 1H-Pyrazole 1hpyraz  
976 C4H5N (E)-2-Butenenitrile c627269  
977 C4H5N (Z)-2-Butenenitrile c1190767  
978 C4H5N 2H-pyrrole pyrrole2  
979 C4H5N 3H-pyrrole pyrrole3  
980 C4H5N Cyclopropanecarbonitrile c5500210  
981 C4H5N Pyrrole pyrrole  
982 CH2CHCH2CN Allylcyanide ch2chch2cn  
983 C3H6N2 3-Aminopropionitrile c151188  
984 CH3CH2CH2CN Butanenitrile c109740  
985 C5H8 Bicyclo[2.1.0]pentane c185944  
986 C5H8 Spiropentane c157404  
987 C4H9N Cyclobutylamine cbam  
988 C4H9N Pyrrolidine pyrrolidine  
989 C3H10N2 1,2-Diaminopropane diampr12  
990 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
991 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
992 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
993 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
994 NH(C2H5)2 diethylamine dea  
995 NC4H12+ tetramethyl ammonium cation nc4h12+  
996 C3O2 Carbon suboxide c3o2  
997 C3O2+ Carbon suboxide cation c3o2+  
998 B2O3 diboron trioxide b2o3  
999 CaCO3 Calcium Carbonate caco3  
1000 PO4--- phosphate po4---  
1001 SO4-- sulfate so4--  
1002 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1003 CHOCOOH oxo acetic acid oaa  
1004 CHOOCHO diformyl ether choocho  
1005 H2SO4 Sulfuric acid h2so4  
1006 C3H3NO Isoxazole isox  
1007 C3H3NS Thiazole thiazole  
1008 CH3C(O)OO acetyl peroxy radical ch3coo2  
1009 CH3NO3 Methyl nitrate ch3no3  
1010 C4H4O Furan furan  
1011 C4H4O+ Furan cation furan+  
1012 C4H4S Thiophene furans  
1013 C4H4Se selenophene c4h4se  
1014 C3H4O2 β–Propiolactone beta  
1015 C3H4O2 2-Propenoic acid propenoic2  
1016 C3H4O2 Methyl glyoxal megly  
1017 C3H4O2 propanedial propanedial  
1018 C3H4O2 propenalol propenalol  
1019 C2H4O3 trioxolane124 triox  
1020 HOCH2COOH Hydroxyacetic acid hac  
1021 CH2CHCONH2 Acrylamide c79061  
1022 CH5N3S Hydrazinecarbothioamide c79196  
1023 H2NCH2COOH Glycine glycine  
1024 C4H6O cis-2-butenal butenal2c  
1025 C4H6O Cyclobutanone cbutone  
1026 C4H6O Furan, 2,3-dihydro- furan23h  
1027 C4H6O Furan, 2,5-dihydro- furan25h  
1028 CH2CHOCHCH2 Vinyl ether vinylether  
1029 CHOCHCHCH3 2-Butenal butenal2  
1030 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1031 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1032 C2H6N2O Urea, methyl- c598505  
1033 C3H6O2 1,3-Dioxolane dioxolane  
1034 CH3CH2COOH Propanoic Acid propanoic  
1035 CH3COOCH3 methyl acetate aame  
1036 HCOOC2H5 Ethyl formate faee  
1037 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1038 C3H7NO dimethylformamide dmf  
1039 C3H7NO Propanamide propanam  
1040 C2H3OC2H5 Ethene, ethoxy- c109922  
1041 C4H8O Cyclobutanol c2919235  
1042 C4H8O Furan, tetrahydro- thf  
1043 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1044 CH3COCH2CH3 2-Butanone buta2one  
1045 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1046 CHOCH2CH2CH3 Butanal butanal  
1047 C3H8O2 1,3-Propanediol c504632  
1048 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1049 C3H8O2 Methane, dimethoxy- c109875  
1050 C3H8O2 Propylene glycol c57556  
1051 C3H8S2 1,3-Propanedithiol c109808  
1052 C4H10O 1-Butanol butanol1  
1053 C4H10O 1-Propanol, 2-methyl- c78831  
1054 C4H10O 2-Butanol, (.+/-.)- butanol2  
1055 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1056 C4H10O Ethoxy ethane etoet  
1057 C4H10O Propane, 2-methoxy- c598538  
1058 C4H10O+ 1-Butanol cation butanol1+  
1059 C2H5SC2H5 Diethyl sulfide etset  
1060 C4H9SH 1-Butanethiol bush  
1061 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1062 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1063 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1064 FNO3 Fluorine nitrate fno3  
1065 TiCl4 Titanium tetrachloride ticl4  
1066 ClO4- perchlorate anion clo4-  
1067 BF4- tetrafluoroboron anion bf4-  
1068 ClFO3 Perchloryl fluoride clfo3  
1069 SO2Cl2 Sulfuryl chloride so2cl2  
1070 F3NO Nitrogen trifluoride oxide f3no  
1071 F3PO Phosphoryl fluoride pf3o  
1072 Cl3PO Phosphoryl chloride pcl3o  
1073 CF4 Carbon tetrafluoride cf4  
1074 CF3Cl Methane, chlorotrifluoro- cf3cl  
1075 SiF4 Silicon tetrafluoride sif4  
1076 CF2Cl2 difluorodichloromethane cf2cl2  
1077 CFCl3 Trichloromonofluoromethane cfcl3  
1078 CF3Br Bromotrifluoromethane cf3br  
1079 GeF4 Germanium tetrafluoride gef4  
1080 CCl4 Carbon tetrachloride ccl4  
1081 CCl4+ Carbon tetrachloride cation ccl4+  
1082 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1083 SiCl4 Silane, tetrachloro- sicl4  
1084 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1085 CF3I trifluoroiodomethane cf3i  
1086 CBrCl3 Methane, bromotrichloro- cbrcl3  
1087 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1088 GeCl4 Germanium Tetrachloride gecl4  
1089 CBr2ClF dibromochlorofluoromethane cbr2clf  
1090 CCl3I trichloroiodomethane ccl3i  
1091 CFBr3 fluorotribromomethane cfbr3  
1092 CFClBrI fluorochlorobromoiodomethane cfclbri  
1093 CF2I2 difluorodiiodomethane cf2i2  
1094 CBr4 Carbon tetrabromide cbr4  
1095 CCl2I2 dichlorodiiodomethane ccl2i2  
1096 CBr3I tribromoiododmethane cbr3i  
1097 GeBr4 Germanium tetrabromide gebr4  
1098 CI4 tetraiodomethane ci4  
1099 SiI4 silicon tetraiodide sii4  
1100 SF4 Sulfur tetrafluoride sf4  
1101 SeF4 Selenium tetrafluoride sef4  
1102 SCl4 Sulfur tetrachloride scl4  
1103 C2HF3 Trifluoroethylene c2hf3  
1104 C2HF3+ Trifluoroethylene cation c2hf3+  
1105 CHClCCl2 Trichloroethylene chclccl2  
1106 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1107 HSO3F Fluorosulfonic acid hso3f  
1108 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1109 CHClCCHCl 1,3-dichloroallene chclcchcl  
1110 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1111 CHCl2CHO dichloroacetaldehyde chcl2cho  
1112 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1113 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1114 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1115 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1116 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1117 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1118 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1119 NH3BCl3 Amminetrichloroboron nh3bcl3  
1120 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1121 C3H5ClO Oxirane, (chloromethyl)- c106898  
1122 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1123 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1124 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1125 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1126 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1127 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1128 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1129 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1130 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1131 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1132 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1133 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1134 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1135 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1136 C4H9F 1-fluorobutane butaf1  
1137 CH3CHFCH2CH3 2-fluorobutane butaf2  
1138 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1139 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1140 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1141 XeF4 Xenon tetrafluoride xef4  
1142 C2H2N2O Furazan furazan  
1143 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1144 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1145 C6H4 Benzyne benzyne  
1146 C6H5 phenyl phenyl  
1147 C6H6 Prismane prismane  
1148 C6H6 2,4-Hexadiyne hexadiyne  
1149 C6H6 3,4-Dimethylenecyclobutene cb34m  
1150 C6H6 Benzene benzene  
1151 C6H6 Dewar Benzene dewar  
1152 C6H6+ Benzene cation c6h6+  
1153 C6H8 (E)-hexa-1,3,5-triene c821078  
1154 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1155 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1156 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1157 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1158 C6H8 3-Methylenecyclopentene c930267  
1159 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1160 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1161 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1162 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1163 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1164 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1165 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1166 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1167 C6H10 1-Hexyne hexyne1  
1168 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1169 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1170 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1171 C6H10 2-Hexyne c764352  
1172 C6H10 cyclohexene cyclohexene  
1173 C6H10 Cyclopentene, 1-methyl- c693890  
1174 C6H10 Cyclopentene, 3-methyl- c1120623  
1175 C6H10 Cyclopentene, 4-methyl- c1759815  
1176 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1177 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1178 C6H12 (E)-3-methylpent-2-ene c616126  
1179 C6H12 (Z)-3-methylpent-2-ene c922623  
1180 C6H12 2,3-dimethyl-but-2-ene tmeet  
1181 C6H12 3-methylenepentane c760214  
1182 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1183 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1184 C6H12 Cyclohexane cyclohexane  
1185 C6H12 Cyclopentane, methyl- c96377  
1186 C6H12 Ethylcyclobutane c4806615  
1187 C6H14 Butane, 2,2-dimethyl- buta22  
1188 C6H14 Butane, 2,3-dimethyl- buta23  
1189 C6H14 Hexane hexane  
1190 C6H14 Pentane, 2-methyl- penta2  
1191 C6H14 Pentane, 3-methyl- penta3  
1192 C4N2 2-Butynedinitrile c4n2  
1193 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1194 C2H2N4 sym-tetrazine ttz  
1195 C3H3N3 1,3,5-Triazine triazine135  
1196 CH3N5 5-Aminotetrazole c4418615  
1197 C4H4N2 1,3-Diazine diazine13  
1198 C4H4N2 Pyrazine pyrazine  
1199 C4H4N2 Pyridazine pyridazine  
1200 C4H4N2 Succinonitrile c110612  
1201 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1202 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1203 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1204 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1205 C5H5N E-2,4-pentadienenitrile bdcn  
1206 C5H5N Pyridine pyridine  
1207 B3N3H6 borazine borazine  
1208 C6H6 Fulvene fulvene  
1209 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1210 C5H7N (E)-2-Pentenenitrile c26294984  
1211 C5H7N (E)-3-Pentenenitrile c16529661  
1212 C5H7N (Z)-2-Pentenenitrile c25899507  
1213 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1214 C5H7N Cyclobutanecarbonitrile c4426113  
1215 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1216 C5H9N Butanenitrile, 2-methyl- c18936179  
1217 C5H9N Pentanenitrile c110598  
1218 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1219 C6H10 Bicyclo[3.1.0]hexane c285585  
1220 C5H11N Cyclopentanamine cypentam  
1221 C5H11N Piperidine piper  
1222 C4H12N2 1,2-Butanediamine c4426486  
1223 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1224 Li2CO3 Lithium Carbonate li2co3  
1225 C2O4-- oxalate anion c2o4  
1226 N2O4 Dinitrogen tetroxide n2o4  
1227 C3H2O3 vinylene carbonate vica  
1228 C2H3NO3 Oxamic acid oxamic  
1229 C4H4O2 2(5H)-Furanone furanone  
1230 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1231 C2H4N2O2 Oxalamide oxalamide  
1232 C2H4N2S2 Ethanedithioamide c79403  
1233 C2H4CO3 Ethylene carbonate etco3  
1234 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1235 C3H4S3 1,3-Dithiolane-2-thione c822388  
1236 C4H5NO 3-Methylisoxazole isox3m  
1237 C4H5NO Isoxazole, 5-methyl- c5765446  
1238 C4H5NS 4-Methylthiazole c693958  
1239 C5H6S Thiophene, 2-methyl- c554143  
1240 C5H6S Thiophene, 3-methyl- c616444  
1241 C4H6O2 γ–Butyrolactone c96480  
1242 C4H6O2 2,3-Butanedione c431038  
1243 C4H6O2 2-Propenoic acid, methyl ester c96333  
1244 C4H6O2 Crotonic Acid crot  
1245 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1246 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1247 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1248 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1249 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1250 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1251 C4H6OS Vinyl sulfoxide c1115157  
1252 CH6N4S Carbonothioic dihydrazide thiacarb  
1253 C2H6N2O2 (E)-Azodioxymethane c37765154  
1254 C2H6N2O2 Dimethylnitroamine c4164287  
1255 C3H6O3 1,3,5-Trioxane trioxane  
1256 C3H6S3 1,3,5-Trithiane c3h6s3  
1257 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1258 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1259 C4H7NO 2-Pyrrolidinone c616455  
1260 C4H7NO Methacrylamide c79390  
1261 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1262 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1263 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1264 CH3CH(NH2)COOH Alanine alanine  
1265 CH3NHCH2COOH Sarcosine sarcosine  
1266 NH2CH2CH2COOH β–alanine betaalanine  
1267 NH2COOC2H5 Urethane urethane  
1268 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1269 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1270 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1271 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1272 NH2CONHC2H5 Urea, ethyl- c625525  
1273 C4H8O2 1,3-Dioxane dioxan13  
1274 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1275 C4H8O2 1,4-Dioxane dioxan14  
1276 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1277 C4H8OS s-Ethyl thioacetate c625605  
1278 C3H8O3 1,2,3-Propanetriol glycerin  
1279 C3H8O2S (Methylsulfonyl)ethane c594434  
1280 C4H9NO Butanamide c541355  
1281 C4H9NO Propanamide, 2-methyl- c563837  
1282 C5H10O 2-Butanone, 3-methyl- c563804  
1283 C5H10O 2H-Pyran, tetrahydro- c142687  
1284 C5H10O 2-methylbutyraldehyde 2meba  
1285 C5H10O 2-Pentanone mpk  
1286 C5H10O 3-Pentanone dek  
1287 C5H10O Cyclopentanol c96413  
1288 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1289 C5H10O Pentanal pal  
1290 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1291 C5H10S 3-Ethylthio-1-propene c5296628  
1292 C5H10S Cyclopentanethiol c1679078  
1293 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1294 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1295 C4H10O2 1,1-Dimethoxyethane c534156  
1296 C4H10O2 1,3-Butanediol budiol13  
1297 C4H10O2 1,4-Butanediol budiol14  
1298 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1299 C4H10OS Diethyl sulfoxide c70291  
1300 C4H10S2 1,4-Butanedithiol budisl14  
1301 C4H11NO Diethylhydroxylamine c3710847  
1302 C5H12O 1-Butanol, 2-methyl- c137326  
1303 C5H12O 1-Butanol, 3-methyl- c123513  
1304 C5H12O 1-Pentanol pentanol1  
1305 C5H12O 2-Butanol, 3-methyl- c598754  
1306 C5H12O 2-Pentanol peol2  
1307 C5H12O 3-Pentanol pentan3ol  
1308 C5H12O Butane, 1-methoxy- meobu  
1309 C5H12O Propane, 1-ethoxy- proet  
1310 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1311 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1312 C5H12S 1-Butanethiol, 3-methyl- c541311  
1313 C5H12S 1-Pentanethiol c110667  
1314 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1315 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1316 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1317 C5H12S Butane, 1-(methylthio)- c628295  
1318 C5H12S Ethyl propyl sulfide c4110503  
1319 C5H12S Propane, 2-(ethylthio)- c5145993  
1320 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1321 C4F2 difluorobutadiyne c4f2  
1322 ClCOClCO Oxalyl chloride oxcl  
1323 CF3CN Acetonitrile, trifluoro- cf3cn  
1324 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1325 B2F4 Diboron tetrafluoride b2f4  
1326 C2F4 Tetrafluoroethylene c2f4  
1327 C2F4+ Tetrafluoroethylene cation c2f4+  
1328 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1329 CF2CCl2 difluorodichloroethylene cf2ccl2  
1330 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1331 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1332 C2FCl3 fluorotrichloroethene c2fcl3  
1333 C2Cl4 Tetrachloroethylene c2cl4  
1334 C2Br4 tetrabromoethene c2br4  
1335 SiF5- silicon pentafluoride anion sif5-  
1336 PF5 Phosphorus pentafluoride pf5  
1337 AsF5 Arsenic pentafluoride asf5  
1338 PCl5 Phosphorus pentachloride pcl5  
1339 SbCl5 Antimony pentachloride sbcl5  
1340 BrF5 bromine pentafluoride brf5  
1341 ClF5 chlorinepentafluoride clf5  
1342 IF5 pentafluoroiodine if5  
1343 CF3CHO trifluoroacetaldehyde cf3cho  
1344 CCl3CHO trichloroacetaldehyde ccl3cho  
1345 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1346 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1347 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1348 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1349 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1350 CF3COOH trifluoroacetic acid cf3cooh  
1351 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1352 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1353 C4H8Cl2 1,4-Dichlorobutane c110565  
1354 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1355 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1356 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1357 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1358 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1359 C5H11Cl Pentane, 1-chloro- pencl1  
1360 C6H5CH2 benzyl radical benzyl  
1361 C6H5CH3 toluene toluene  
1362 C7H8 cycloheptatriene cht  
1363 C7H8 Norbornadiene norbor  
1364 C7H8 Quadricyclane qucy  
1365 C7H12 Norbornane nor  
1366 C7H14 cycloheptane c7h14  
1367 C7H16 2-methylhexane 2mhex  
1368 C7H16 3-methylhexane hex3m  
1369 C7H16 heptane heptane  
1370 CH(CN)3 tricyanomethane mecn3  
1371 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1372 C6H7N 2-Methylpyridine mp  
1373 C6H5NH2 aniline aniline  
1374 C6H13N 2-Methylpiperidine pip2m  
1375 C6H13N cyclohexanamine cham  
1376 C6H15N triethylamine tea  
1377 N2O5 Dinitrogen pentoxide n2o5  
1378 C4H2O3 Maleic Anhydride malan  
1379 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1380 C5H4O2 furfural furfural  
1381 C6H5O phenoxy radical phenoxy  
1382 C5H5NO 2(1H)-Pyridinone c72762006  
1383 C5H5NO 2(3H)-Pyridinone c9000048  
1384 C5H5NO 2(5H)-Pyridinone c9000037  
1385 C5H5NO 2-Pyridinol c109104  
1386 C5H5NO 3(2H)-Pyridinone c9000004  
1387 C5H5NO 3(4H)-Pyridinone c9000026  
1388 C5H5NO 3(6H)-Pyridinone c9000015  
1389 C5H5NO 3-Pyridinol c109002  
1390 C5H5NO 4(1H)-Pryidinone c9000060  
1391 C5H5NO 4(3H)-Pryidinone c9000059  
1392 C5H5NO 4-Pyridinol c626642  
1393 C6H5OH phenol phenol  
1394 C6H6O 2,4-Cyclohexadienone c24599573  
1395 C6H5SH Benzenethiol phsh  
1396 HO2CCHNH2CH2OH Serine serine  
1397 C5H8O2 Acetylacetone acac  
1398 C4H8O2S Sulfolane sulfolane  
1399 CH(C2H3)3 trivinyl methane tvm  
1400 C6H10O cyclohexanone chexo  
1401 C6H12O hexanal c6h12o  
1402 C3H7OC3H7 di-n-propyl ether propr  
1403 F2CCCF2 tetrafluoroallene pfa  
1404 CF3COF trifluoroacetyl fluoride cf3cof  
1405 CF3COCl trifluoroacetyl chloride cf3cocl  
1406 SF6 Sulfur Hexafluoride sf6  
1407 CF3CHF2 pentafluoroethane cf3chf2  
1408 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1409 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1410 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1411 CCl3CHCl2 pentachloroethane ccl3chcl2  
1412 C6H5F Fluorobenzene bzf  
1413 C6H5Cl chlorobenzene bzcl  
1414 C6H5Br bromobenzene bzbr  
1415 C6H5CCH phenylacetylene phac  
1416 C8H6 Pentalene pentalene  
1417 C6H5CHCH2 Styrene styrene  
1418 C8H8 cubane cubane  
1419 C8H8 cyclooctatetraene cot  
1420 C6H5CH2CH3 Ethylbenzene etbz  
1421 CH3C6H4CH3 meta-xylene mxylene  
1422 CH3C6H4CH3 paraxylene pxylene  
1423 C8H14 Bicyclo[2.2.2]octane bico222  
1424 C8H18 Octane c8h18  
1425 C6H5CN phenyl cyanide phcn  
1426 C6H12N2 Triethylenediamine ted  
1427 C4O4-- squarate dianion c4o4--  
1428 S8 Octasulfur s8  
1429 C6H4O2 parabenzoquinone pbq  
1430 C4H4N2O2 Uracil uracil  
1431 C6H5CHO benzaldehyde benzal  
1432 C6H5OCH3 Anisole anisole  
1433 C5H9NO2 Proline proline  
1434 C6H12O2 Methyl pivalate c598981  
1435 C6H12O2 Hexanoic acid hexa  
1436 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1437 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1438 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1439 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1440 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1441 C2F6 hexafluoroethane c2f6  
1442 C2Cl6 hexachloroethane c2cl6  
1443 IF7 Iodine heptafluoride if7  
1444 C6H4F2 metadifluorobenzene mdfb  
1445 C6H4F2 orthodifluorobenzene odfb  
1446 C6H4F2 1,4-difluorobenzene pdfb  
1447 C6H4Cl2 1,2-dichlorobenzene dcb12  
1448 C9H8 Indene indene  
1449 C9H12 n-propyl benzene prbz  
1450 C9H20 Nonane nonane  
1451 C5H4N4 purine purine  
1452 C8H7N Indole indole  
1453 C3H3N3O3 cyanuric acid cyanuric  
1454 C6H5NO2 Nitrobenzene c6h5no2  
1455 C6H5COOH benzoic acid benzo  
1456 CH3COC6H5 acetophenone acph  
1457 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1458 C10H10 bullvalene bullv  
1459 C10H16 adamantane adamantane  
1460 C10H22 Decane decane  
1461 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1462 C3F8 perfluoropropane c3f8  
1463 Fe(CO)5 Iron pentacarbonyl ipc  
1464 Fe(C5H5)2 ferrocene fecp2  
1465 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1466 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1467 C12H8 Acenaphthylene acenaph  
1468 C12H8 biphenylene biph  
1469 C12H10 biphenyl biphenyl  
1470 C12H10 Heptalene heptalene  
1471 C6H12O6 Inositol inositol  
1472 C6F6 hexafluorobenzene c6f6  
1473 C13H10 Fluorene fluorene  
1474 C14H10 Anthracene anth  
1475 C14H10 Phenanthrene phenanthrene  
1476 C12H10N2 azobenzene azobenzene  
1477 C16H10 Pyrene pyrene  
1478 C18H12 Tetracene tetracene  
1479 C24H12 Coronene coronene